5IM7

Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	69.439, 81.956, 157.123
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.814 - 2.502
R-factor	0.1951
Rwork	0.193
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a1m
RMSD bond length	0.010
RMSD bond angle	1.246
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.500
Rmerge	0.102
Number of reflections	31596
<I/σ(I)>	12.12
Completeness [%]	99.8
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1M MES pH 6.5, 15% PEG4K, 20% 2-proponal