1QQD

CRYSTAL STRUCTURE OF HLA-CW4, A LIGAND FOR THE KIR2D NATURAL KILLER CELL INHIBITORY RECEPTOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	103
Detector technology	CCD
Collection date	1997-05-31
Detector	ADSC QUANTUM 1
Spacegroup name	P 21 21 21
Unit cell lengths	54.960, 77.490, 108.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.000 - 2.700
R-factor	0.223
Rwork	0.223
R-free	0.27500
RMSD bond length	0.007
RMSD bond angle	24.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.123	0.504
Number of reflections	12895
<I/σ(I)>	5.4
Completeness [%]	97.2	90.5
Redundancy	5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5	291	seeding using 12% PEG8000, 0.2 M Ca acetate, and 0.1M Na cacodylate *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	18 (%)
2	1	reservoir	Ca-acetate	(M)
3	1	reservoir	Na cacodylate	(M)