6ISB

crystal structure of human CD226

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	57.879, 118.492, 123.171
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.696 - 2.500
R-factor	0.2555
Rwork	0.255
R-free	0.26730
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.872
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.077	0.573
Rpim	0.030	0.213
Number of reflections	30085	2955
<I/σ(I)>	24.645	4.311
Completeness [%]	99.9	100
Redundancy	7.9	8.2
CC(1/2)	0.994	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		277	0.1 M Tris (pH 7.5) and 0.8 M Na/K hydrogen phosphate