6IUI

Crystal structure of GIT1 PBD domain in complex with Paxillin LD4 motif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	I 4
Unit cell lengths	128.803, 128.803, 47.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.201 - 2.600
R-factor	0.1957
Rwork	0.194
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6iuh
RMSD bond length	0.002
RMSD bond angle	0.521
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.054	0.042	0.986
Rmeas	0.059	0.047	1.065
Rpim	0.023	0.019	0.401
Number of reflections	12341	655	621
<I/σ(I)>	7.1
Completeness [%]	99.9	98.3	100
Redundancy	6.7	6	7
CC(1/2)		0.997	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.1M HEPES pH 7.5, 30% w/v PEG 1000