5KD7

Crystal Structure of Murine MHC-I H-2Dd in complex with Murine Beta2-Microglobulin and a Variant of Peptide (PV9) of HIV gp120 MN Isolate (IGPGRAFYV)

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	2015-06-25
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0333
Spacegroup name	P 1
Unit cell lengths	51.420, 75.360, 120.030
Unit cell angles	93.52, 87.14, 96.50

Refinement procedure

Resolution	42.719 - 2.350
R-factor	0.1992
Rwork	0.198
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ecb
RMSD bond length	0.005
RMSD bond angle	0.777
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.800	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.055	0.771
Number of reflections	72767
<I/σ(I)>	14.7	1.8
Completeness [%]	97.9	96.5
Redundancy	3.9	4
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	12% PEG 20000, 0.1M MES buffer