5T7G

Crystal Structure of Murine MHC-I H-2Dd in complex with Murine Beta2-Microglobulin and a Variant of Peptide (PT9) of HIV gp120 MN Isolate (IGPGRAFYT)

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	2016-08-19
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0333
Spacegroup name	P 21 21 21
Unit cell lengths	50.243, 120.496, 143.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.966 - 1.961
R-factor	0.1969
Rwork	0.195
R-free	0.23790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kd7
RMSD bond length	0.009
RMSD bond angle	1.194
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]	39.000	2.030
High resolution limit [Å]	1.960	1.960
Rmerge	0.060	0.972
Number of reflections	63236
<I/σ(I)>	12.9	1.3
Completeness [%]	99.5	98.6
Redundancy	4	3.9
CC(1/2)	0.999	0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	12% PEG 10000, 0.1M MES buffer