4PG2

The crystal structure of H-2Db with a S-glutathionylated peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-05-28
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 2 2 21
Unit cell lengths	75.699, 79.099, 85.933
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.860 - 2.800
R-factor	0.21399
Rwork	0.208
R-free	0.26668
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.127
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall
Low resolution limit [Å]	16.000
High resolution limit [Å]	2.800
Number of reflections	11701
<I/σ(I)>	10.5
Completeness [%]	87.9
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	0.1M citrate pH7.5, 28% PEG 3350, 0.2M LiSO4