3S4S

Crystal structure of CD4 mutant bound to HLA-DR1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.502
Spacegroup name	P 1 21 1
Unit cell lengths	67.260, 137.290, 88.290
Unit cell angles	90.00, 106.64, 90.00

Refinement procedure

Resolution	50.000 - 2.400
Rwork	0.251
R-free	0.28560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.381
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.110	0.063	0.599
Number of reflections	60345
<I/σ(I)>	7.3
Completeness [%]	99.8	100	99.6
Redundancy	5.8	6.3	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG 8000, (NH4)SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K