7CQN

GmaS in complex with AMPPCP

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	2019-06-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	110.917, 176.701, 191.833
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.493 - 1.962
R-factor	0.1689
Rwork	0.167
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cql
RMSD bond length	0.007
RMSD bond angle	1.063
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	1.990
High resolution limit [Å]	1.960	5.320	1.960
Rmerge	0.080	0.039	0.405
Rmeas	0.090	0.043	0.483
Rpim	0.040	0.017	0.257
Total number of observations	600254
Number of reflections	131664	7035	5864
<I/σ(I)>	8
Completeness [%]	98.1	99.9	87.7
Redundancy	4.6	6.1	2.9
CC(1/2)		0.995	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1 M HEPES (pH 7.5), 0.2 M ammonium acetate and 25% (v/v) isopropanol