X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDOMIMETIC AND SEB

entry_id	1d5z
deposition_date	1999-10-12
title	X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDOMIMETIC AND SEB
keywords	MHC CLASS II-SUPERANTIGEN COMPLEX, IMMUNE SYSTEM-PEPTIDE INHIBITOR COMPLEX, PEPTIDOMIMETIC INHIBITOR; IMMUNE SYSTEM/PEPTIDE INHIBITOR
method	X-RAY DIFFRACTION

rg_guinier	29.52 Å
rg_electron	28.95 Å
i0	75838900.00
molecular_weight	69378.0 kDa
excluded_volume	86939 ų
envelope_volume	106310 ų
shell_volume	31393 ų
envelope_diameter	109.8 Å
shell_rg	35.14 Å
envelope_rg	29.09 Å
shape_rg	28.91 Å
total_rg	29.65 Å
total_atoms	4904
n_residues	589
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	101.7 Å
rg_real	29.58 Å
rg_real_error	0.88 Å
i0_real	7.5840e+07
i0_real_error	1.2630e+06
rg_reciprocal	29.56 Å
i0_reciprocal	75840000.0000
total_estimate	0.8763
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	32.0 Å
skewness	0.390
kurtosis	-0.241
angular_range	— – 0.2700 Å−1
current_alpha	0.0000
highest_alpha	11170000.0000
n_real_points	55
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.836; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.954; Smooth: 0.925

Unit Cell

length_a	78.343 Å
length_b	100.168 Å
length_c	100.175 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	2.000 Å
resolution_low	19.450 Å
r_factor	0.2340
r_work	0.2340
r_free	0.2650

Diffraction

temperature

113.0 K

Files (7)

• pr_distribution /app/data/pr_computation/d5/1d5z/pr_distribution.json
• pr_output /app/data/pr_computation/d5/1d5z/1d5z.pr.out
• pr_plot /app/data/visualization/pr_computation/d5/1d5z/1d5z_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/d5/1d5z/1d5z.dat
• saxs_fit /app/data/saxs_computation/d5/1d5z/1d5z.fit
• saxs_log /app/data/saxs_computation/d5/1d5z/1d5z.log
• saxs_plot /app/data/visualization/saxs_computation/d5/1d5z/1d5z_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/d5/1d5z/1d5z.fit
pddf	/app/data/pr_computation/d5/1d5z/1d5z.pr.out
profile	/app/data/saxs_computation/d5/1d5z/1d5z.dat