5YXK

High resolution crystal structure of Human B7-2 IgV domain in P21 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-29
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	32.898, 81.640, 73.490
Unit cell angles	90.00, 90.32, 90.00

Refinement procedure

Resolution	36.740 - 1.900
R-factor	0.2016
Rwork	0.199
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ncn
RMSD bond length	0.010
RMSD bond angle	1.421
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	36.740	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.107	0.088	0.351
Rmeas	0.122	0.100	0.429
Rpim	0.057	0.048	0.243
Number of reflections	30622	1604	1527
<I/σ(I)>	7.3
Completeness [%]	98.7	99.8	97.8
Redundancy	4.1	4.5	2.9
CC(1/2)		0.986	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1M Tris HCl pH 8.5, 2.4M Ammonium phosphate dibasic