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

entry_id	1d5x
deposition_date	1999-10-12
title	X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH DIPEPTIDE MIMETIC AND SEB
keywords	MHC CLASS II-SUPERANTIGEN COMPLEX, IMMUNE SYSTEM-PEPTIDE INHIBITOR COMPLEX, PEPTIDEOMIMETIC INHIBITOR; IMMUNE SYSTEM/PEPTIDE INHIBITOR
method	X-RAY DIFFRACTION

rg_guinier	30.13 Å
rg_electron	29.49 Å
i0	76049100.00
molecular_weight	69319.0 kDa
excluded_volume	86835 ų
envelope_volume	110780 ų
shell_volume	32136 ų
envelope_diameter	112.4 Å
shell_rg	35.76 Å
envelope_rg	29.58 Å
shape_rg	29.44 Å
total_rg	30.22 Å
total_atoms	4900
n_residues	586
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	104.7 Å
rg_real	30.19 Å
rg_real_error	1.12 Å
i0_real	7.6050e+07
i0_real_error	1.2690e+06
rg_reciprocal	30.16 Å
i0_reciprocal	76050000.0000
total_estimate	0.8750
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.6 Å
skewness	0.383
kurtosis	-0.252
angular_range	— – 0.2650 Å−1
current_alpha	0.0000
highest_alpha	11980000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.822; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.929; Smooth: 0.976

Unit Cell

length_a	90.838 Å
length_b	104.252 Å
length_c	107.818 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	2.450 Å
resolution_low	20.000 Å
r_factor	0.2370
r_work	0.2370
r_free	0.2680

Diffraction

temperature

294.0 K

Files (7)

• pr_distribution /app/data/pr_computation/d5/1d5x/pr_distribution.json
• pr_output /app/data/pr_computation/d5/1d5x/1d5x.pr.out
• pr_plot /app/data/visualization/pr_computation/d5/1d5x/1d5x_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/d5/1d5x/1d5x.dat
• saxs_fit /app/data/saxs_computation/d5/1d5x/1d5x.fit
• saxs_log /app/data/saxs_computation/d5/1d5x/1d5x.log
• saxs_plot /app/data/visualization/saxs_computation/d5/1d5x/1d5x_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/d5/1d5x/1d5x.fit
pddf	/app/data/pr_computation/d5/1d5x/1d5x.pr.out
profile	/app/data/saxs_computation/d5/1d5x/1d5x.dat