4GBX

Crystal structure of an immune complex at pH 6.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	66.167, 126.032, 143.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.991 - 3.000
R-factor	0.2004
Rwork	0.198
R-free	0.25040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.295
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1065)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.070	0.029	0.875
Number of reflections	27191
<I/σ(I)>	10.9
Completeness [%]	99.6	97.5	99.9
Redundancy	3.6	3.4	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.1M MES, 6% PEG 20000, VAPOR DIFFUSION, HANGING DROP, temperature 291K, pH 6.5