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1b54

;CRYSTAL STRUCTURE OF A YEAST HYPOTHETICAL PROTEIN-A STRUCTURE FROM BNL'S HUMAN PROTEOME PROJECT ;

Method: X-RAY DIFFRACTION D_max: 60.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b54
deposition_date	1999-01-12
title	;CRYSTAL STRUCTURE OF A YEAST HYPOTHETICAL PROTEIN-A STRUCTURE FROM BNL'S HUMAN PROTEOME PROJECT ;
keywords	;YEAST HYPOTHETICAL PROTEIN, PROTEOME, PYRIDOXAL PHOSPHATE, TIM BARREL, Structural Genomics, PSI, Protein Structure Initiative, New York SGX Research Center for Structural Genomics, NYSGXRC, HYPOTHETICAL PROTEIN ;; HYPOTHETICAL PROTEIN
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	18.73 Å
rg_electron	17.58 Å
i0	12064200.00
molecular_weight	26344.0 kDa
excluded_volume	33149 Å³
envelope_volume	37220 Å³
shell_volume	17641 Å³
envelope_diameter	60.9 Å
shell_rg	23.77 Å
envelope_rg	17.88 Å
shape_rg	17.59 Å
total_rg	18.47 Å
total_atoms	1853
n_residues	230
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	60.4 Å
rg_real	18.63 Å
rg_real_error	0.38 Å
i0_real	1.2060e+07
i0_real_error	1.5600e+05
rg_reciprocal	18.65 Å
i0_reciprocal	12060000.0000
total_estimate	0.8138
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.4 Å
skewness	0.176
kurtosis	-0.444
angular_range	— – 0.4250 Å⁻¹
current_alpha	0.0000
highest_alpha	4130000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.861; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	YEAST HYPOTHETICAL PROTEIN
formula_weight	29164.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2015

MSTGITYDEDRKTQLIAQYESVREVVNAEAKNVHVNENASKILLLVVSKLKPASDIQILYDHGVREFGENYVQELIEKAKLLPDDIKWHFIGGLQTNKCKDLAKVPNLYSVETIDSLKKAKKLNESRAKFQPDCNPILCNVQINTSHEDQKSGLNNEAEIFEVIDFFLSEECKYIKLNGLMTIGSWNVSHEDSKENRDFATLVEWKKKIDAKFGTSLKLSMGMSADFREAIRQGTAEVRIGTDIFGARPPKNEARII

Source

organism	Saccharomyces cerevisiae
common_name	;baker's yeast ;
ncbi_taxonomy_id	4932
host_organism	Escherichia coli

Entity 2 non-polymer

description	PYRIDOXAL-5'-PHOSPHATE
formula_weight	247.1 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	162

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6. Citations (1)

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length_a	48.580 Å
length_b	65.710 Å
length_c	91.940 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.100 Å
resolution_low	10.000 Å
r_factor	0.2350
r_work	0.2350
r_free	0.3030

fit	/app/data/saxs_computation/b5/1b54/1b54.fit
pddf	/app/data/pr_computation/b5/1b54/1b54.pr.out
profile	/app/data/saxs_computation/b5/1b54/1b54.dat

;CRYSTAL STRUCTURE OF A YEAST HYPOTHETICAL PROTEIN-A STRUCTURE FROM BNL'S HUMAN PROTEOME PROJECT ;

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction