4XO1

crystal structure of Se-Met GnsA with double mutations

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-05
Detector	MAR CCD 165 mm
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	38.074, 42.539, 72.782
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.370 - 1.802
R-factor	0.196
Rwork	0.195
R-free	0.22320
RMSD bond length	0.009
RMSD bond angle	1.220
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.060	0.414
Number of reflections	10526
<I/σ(I)>	60.3	6.9
Completeness [%]	99.9	100
Redundancy	14.1	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1M BIS-TRIS pH 5.5, 25%(w/v) Polyethylene glycol 3,350