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1b66

6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE

Method: X-RAY DIFFRACTION D_max: 90.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b66
deposition_date	1999-01-20
title	6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE
keywords	TETRAHYDROBIOPTERIN BIOSYNTHESIS, PHOSPHATE ELIMINATION, PTERINE SYNTHESIS; TETRAHYDROBIOPTERIN BIOSYNTHESIS
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	27.19 Å
rg_electron	26.34 Å
i0	17760800.00
molecular_weight	31845.0 kDa
excluded_volume	39753 Å³
envelope_volume	52821 Å³
shell_volume	18443 Å³
envelope_diameter	93.4 Å
shell_rg	30.79 Å
envelope_rg	26.15 Å
shape_rg	26.35 Å
total_rg	26.85 Å
total_atoms	2238
n_residues	276
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	90.3 Å
rg_real	27.51 Å
rg_real_error	0.92 Å
i0_real	1.7760e+07
i0_real_error	2.8590e+05
rg_reciprocal	27.41 Å
i0_reciprocal	17760000.0000
total_estimate	0.8329
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	20.2 Å
skewness	0.476
kurtosis	-0.550
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	2420000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.791; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.586; Smooth: 0.864

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE
formula_weight	15875.2 kDa
ec_number	4.6.1.10
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	2497

VGLRRRARLSRLVSFSASHRLHSPSLSAEENLKVFGKCNNPNGHGHNYKVVVTIHGEIDPVTGMVMNLTDLKEYMEEAIMKPLDHKNLDLDVPYFADVVSTTENVAVYIWENLQRLLPVGALYKVKVYETDNNIVVYKGE

Source

organism	Rattus rattus
common_name	black rat
ncbi_taxonomy_id	10117
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	BIOPTERIN
formula_weight	237.2 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	259

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6. Citations (1)

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length_a	120.270 Å
length_b	120.270 Å
length_c	61.250 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 3 2 1
int_tables_number	150
crystal_system	—

resolution	1.900 Å
resolution_low	20.000 Å
r_factor	0.2270
r_work	0.2270
r_free	0.2580

fit	/app/data/saxs_computation/b6/1b66/1b66.fit
pddf	/app/data/pr_computation/b6/1b66/1b66.pr.out
profile	/app/data/saxs_computation/b6/1b66/1b66.dat

6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE

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