1FZO

MHC CLASS I NATURAL MUTANT H-2KBM8 HEAVY CHAIN COMPLEXED WITH BETA-2 MICROGLOBULIN AND SENDAI VIRUS NUCLEOPROTEIN

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
Detector	CUSTOM-MADE
Spacegroup name	P 21 21 2
Unit cell lengths	136.310, 87.350, 45.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.900 - 1.800
R-factor	0.197
Rwork	0.197
R-free	0.21100
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	0.008
RMSD bond angle	25.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.900	1.820
High resolution limit [Å]	1.800	1.800
Rmerge	0.074	0.494
Number of reflections	47714	1601 *
<I/σ(I)>	21.9	2.4
Completeness [%]	93.8	95.4
Redundancy	4.2	4.1

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 (%)