7CQU

GmaS/ADP/MetSox-P complex

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	2019-05-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	116.598, 174.727, 190.618
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.896 - 2.060
R-factor	0.165
Rwork	0.163
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cql
RMSD bond length	0.007
RMSD bond angle	1.125
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	2.180
High resolution limit [Å]	2.060	4.520	2.100
Rmerge	0.090	0.043	0.460
Rmeas	0.102	0.048	0.546
Rpim	0.048	0.019	0.286
Number of reflections	114519	12133	11040
<I/σ(I)>	13.1
Completeness [%]	97.5	100	94.5
Redundancy	4	6	3
CC(1/2)		0.996	0.811

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