1FZJ

MHC CLASS I NATURAL MUTANT H-2KBM1 HEAVY CHAIN COMPLEXED WITH BETA-2 MICROGLOBULIN AND VESICULAR STOMATITIS VIRUS NUCLEOPROTEIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	134.910, 88.350, 45.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.900
R-factor	0.204
Rwork	0.204
R-free	0.22200
Structure solution method	CNS, done by rigid body refinement of starting model.
Starting model (for MR)	pdb-entry 2vaa without peptide water and mutated side chains truncated to alanine.
RMSD bond length	0.009
RMSD bond angle	25.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.056	0.405
Number of reflections	43138	2102 *
<I/σ(I)>	20.3	2.5
Completeness [%]	99.2	98.9
Redundancy	3.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	17 *	K/Na phosphate, MPD, pH 6.40, VAPOR DIFFUSION, SITTING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir		2.1-2.2 (M)
3	1	reservoir	MPD	2 (%)