7CQQ

GmaS in complex with AMPPNP and MetSox

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	2019-06-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	115.553, 174.476, 190.125
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.826 - 2.295
R-factor	0.1591
Rwork	0.157
R-free	0.19550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cql
RMSD bond length	0.007
RMSD bond angle	1.121
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]	2.295	6.240	2.300
Rmerge	0.085	0.037	0.449
Rmeas	0.092	0.040	0.492
Rpim	0.036	0.016	0.199
Number of reflections	85608	4527	4214
<I/σ(I)>	5.9
Completeness [%]	100.0	99.9	100
Redundancy	6.4	6.4	6
CC(1/2)		0.999	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.1 M bicine (pH 8.5), 10% (v/v) 2-propanol, 30% (v/v) polyethylene glycol 1500