1I1F

Crystal structure of human class i mhc (hla-a2.1) complexed with beta 2-microglobulin and hiv-rt variant peptide i1y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-12
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1
Unit cell lengths	49.574, 62.970, 74.559
Unit cell angles	82.09, 76.47, 77.78

Refinement procedure

Resolution	15.000 - 2.800
R-factor	0.274
Rwork	0.260
R-free	0.31500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hhh
RMSD bond length	0.009 *
RMSD bond angle	2.493 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE (IN CCP4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.110	0.320
Total number of observations	148065 *
Number of reflections	21030
<I/σ(I)>	13.2	4.2
Completeness [%]	99.2	98.6
Redundancy	7	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5		drop consists of 1:1 mixture of well and protein solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protease	10 (mg/ml)
2	1	drop	MES	25 (mM)
3	1	reservoir	PEG8000	20 (%)
4	1	reservoir	MES	25 (mM)