7CQW

GmaS/ADP complex-Conformation 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	114.663, 176.002, 190.545
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.636 - 2.297
R-factor	0.1744
Rwork	0.172
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cql
RMSD bond length	0.007
RMSD bond angle	1.113
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.297	6.240	2.300
Rmerge	0.124	0.059	0.438
Rmeas	0.131	0.062	0.461
Rpim	0.040	0.018	0.143
Number of reflections	84917	4500	4240
<I/σ(I)>	8
Completeness [%]	99.5	99.6	100
Redundancy	11.5	12	10.5
CC(1/2)		0.995	0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1.1 M ammonium tartrate dibasic (pH 7.0)