6AMT

Human Class I MHC HLA-A2 in complex with synthetic peptide MMWDRGLGMM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	58.297, 84.930, 84.322
Unit cell angles	90.00, 89.97, 90.00

Refinement procedure

Resolution	19.950 - 2.496
R-factor	0.2156
Rwork	0.211
R-free	0.24940
RMSD bond length	0.002
RMSD bond angle	0.453
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.590
High resolution limit [Å]	2.500	5.350	2.500
Rmerge	0.135	0.133	0.550
Rmeas	0.165	0.161	0.690
Rpim	0.094	0.089	0.411
Total number of observations	84652
Number of reflections	28129	2878	2721
<I/σ(I)>	13.5
Completeness [%]	98.5	98.8	97.6
Redundancy	3	2.9	3
CC(1/2)		0.955	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	298	25% PEG1000, 0.01% sodium azide, 0.1 M MES