3S5L

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	2011-01-01
Detector	SIEMENS-NICOLET
Wavelength(s)	1.502
Spacegroup name	P 21 21 21
Unit cell lengths	94.200, 119.700, 137.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
Rwork	0.234
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1G9M and 3L6F
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Rmerge	0.069
Number of reflections	91276
<I/σ(I)>	23.4
Completeness [%]	99.9
Redundancy	14.4

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