5JGJ

Crystal structure of GtmA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9762
Spacegroup name	P 62
Unit cell lengths	94.729, 94.729, 52.729
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.357 - 1.660
R-factor	0.1686
Rwork	0.168
R-free	0.18620
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.352
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	SHELXDE
Refinement software	PHENIX (dev_2608)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.360	44.360	1.690
High resolution limit [Å]	1.660	9.090	1.660
Rmerge	0.050	0.046	1.469
Rmeas	0.052	0.048	1.510
Rpim	0.012	0.011	0.347
Total number of observations	629629	3947	29881
Number of reflections	32033
<I/σ(I)>	29.7	80.5	2.3
Completeness [%]	100.0	99.4	100
Redundancy	19.7	18.5	18.7
CC(1/2)	1.000	0.998	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% PEG 3350, 0.2 M sodium formate