;IMMUNOGLOBULIN 48G7 GERMLINE FAB ANTIBODY COMPLEXED WITH HAPTEN 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID. AFFINITY MATURATION OF AN ESTEROLYTIC ANTIBODY ;

entry_id	1aj7
deposition_date	1997-05-15
title	;IMMUNOGLOBULIN 48G7 GERMLINE FAB ANTIBODY COMPLEXED WITH HAPTEN 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID. AFFINITY MATURATION OF AN ESTEROLYTIC ANTIBODY ;
keywords	GERMLINE ANTIBODY, FAB, CATALYTIC ANTIBODY, AFFINITY MATURATION, IMMUNOGLOBULIN; IMMUNOGLOBULIN
method	X-RAY DIFFRACTION

rg_guinier	24.91 Å
rg_electron	23.95 Å
i0	38184600.00
molecular_weight	46789.0 kDa
excluded_volume	58162 ų
envelope_volume	71562 ų
shell_volume	25177 ų
envelope_diameter	79.8 Å
shell_rg	30.73 Å
envelope_rg	23.74 Å
shape_rg	23.91 Å
total_rg	24.84 Å
total_atoms	4067
n_residues	431
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	78.4 Å
rg_real	24.89 Å
rg_real_error	0.47 Å
i0_real	3.8180e+07
i0_real_error	5.2820e+05
rg_reciprocal	24.90 Å
i0_reciprocal	38180000.0000
total_estimate	0.9059
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	28.6 Å
skewness	0.295
kurtosis	-0.478
angular_range	— – 0.3200 Å−1
current_alpha	0.0000
highest_alpha	9138000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.945; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.952

Unit Cell

length_a	46.100 Å
length_b	60.900 Å
length_c	73.100 Å
angle_alpha	90.00 °
angle_beta	104.80 °
angle_gamma	90.00 °
z_pdb	2

Symmetry

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

Refinement

resolution	2.100 Å
resolution_low	20.000 Å
r_factor	0.2170
r_work	0.2170
r_free	0.2580

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/aj/1aj7/pr_distribution.json
• pr_output /app/data/pr_computation/aj/1aj7/1aj7.pr.out
• pr_plot /app/data/visualization/pr_computation/aj/1aj7/1aj7_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/aj/1aj7/1aj7.dat
• saxs_fit /app/data/saxs_computation/aj/1aj7/1aj7.fit
• saxs_log /app/data/saxs_computation/aj/1aj7/1aj7.log
• saxs_plot /app/data/visualization/saxs_computation/aj/1aj7/1aj7_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/aj/1aj7/1aj7.fit
pddf	/app/data/pr_computation/aj/1aj7/1aj7.pr.out
profile	/app/data/saxs_computation/aj/1aj7/1aj7.dat