6JMT

Crystal structure of GIT/PIX complex

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	2017-07-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97775
Spacegroup name	P 21 21 2
Unit cell lengths	168.963, 322.681, 44.469
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.053 - 2.800
R-factor	0.1971
Rwork	0.194
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jue
RMSD bond length	0.009
RMSD bond angle	1.184
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.175	0.064	0.760
Rmeas	0.186	0.068	0.810
Rpim	0.061	0.022	0.271
Number of reflections	59001	3087	2912
<I/σ(I)>	4.6
Completeness [%]	95.8	90.7	97.6
Redundancy	8.1	8.2	7.7
CC(1/2)		0.994	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	NaF, Bis-Tris propane/citric acid pH 6.7, PEG3350