5V5M

Crystal structure of HLA-B*5701 complex with HIV-1 gag derived peptide TW10

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	2016-10-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	69.674, 82.622, 157.779
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.367 - 2.878
R-factor	0.2008
Rwork	0.198
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a1m
RMSD bond length	0.006
RMSD bond angle	1.020
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.870
Rmerge	0.140
Number of reflections	21186
<I/σ(I)>	9.13
Completeness [%]	99.2
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	15-20% w/v PEG 4000, 20% w/v 2-propanol, 0.1 M MES pH 6.5