LOW TEMPERATURE MIDDLE RESOLUTION STRUCTURE OF P64K FROM MASC DATA

Method: X-RAY DIFFRACTION D_max: 84.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bhy
deposition_date	1998-06-10
title	LOW TEMPERATURE MIDDLE RESOLUTION STRUCTURE OF P64K FROM MASC DATA
keywords	OUTER MEMBRANE PROTEIN, MASC, MULTIWAVELENGTH ANOMALOUS SOLVENT CONTRAST; OUTER MEMBRANE 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	24.98 Å
rg_electron	24.03 Å
i0	44925500.00
molecular_weight	51513.0 kDa
excluded_volume	64383 Å³
envelope_volume	77560 Å³
shell_volume	26781 Å³
envelope_diameter	87.8 Å
shell_rg	31.21 Å
envelope_rg	24.15 Å
shape_rg	24.03 Å
total_rg	24.83 Å
total_atoms	3616
n_residues	482
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	84.7 Å
rg_real	24.88 Å
rg_real_error	0.78 Å
i0_real	4.4930e+07
i0_real_error	6.6090e+05
rg_reciprocal	24.91 Å
i0_reciprocal	44930000.0000
total_estimate	0.8074
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	29.6 Å
skewness	0.158
kurtosis	-0.562
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	8969000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.841; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.976; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (2)

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length_a	140.620 Å
length_b	140.620 Å
length_c	77.020 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	4.180 Å
resolution_low	8.000 Å
r_factor	0.3380
r_work	0.3380
r_free	0.3230

description	P64K
formula_weight	50798.0 kDa
src_method	nat
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	3616

LOW TEMPERATURE MIDDLE RESOLUTION STRUCTURE OF P64K FROM MASC DATA

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Entity 2 non-polymer

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	1

fit	/app/data/saxs_computation/bh/1bhy/1bhy.fit
pddf	/app/data/pr_computation/bh/1bhy/1bhy.pr.out
profile	/app/data/saxs_computation/bh/1bhy/1bhy.dat