7CIO

Molecular interactions of cytoplasmic region of CTLA-4 with SH2 domains of PI3-kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2019-05-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9800
Spacegroup name	P 21 21 21
Unit cell lengths	41.221, 41.563, 59.628
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.100 - 1.100
R-factor	0.1549
Rwork	0.154
R-free	0.17870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5aul
RMSD bond length	0.012
RMSD bond angle	1.312
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.170
High resolution limit [Å]	1.100	1.100
Number of reflections	40740	5178
<I/σ(I)>	15.4	1.8
Completeness [%]	96.3	77.2
Redundancy	6.1	4.8
CC(1/2)	0.999	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.2 M ammonium acetate, 0.1 M sodium acetate trihydrate pH 4.6, 30% PEG 4000