5JGL

Crystal structure of GtmA in complex with S-Adenosylmethionine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.3855
Spacegroup name	P 1 21 1
Unit cell lengths	45.989, 114.142, 56.438
Unit cell angles	90.00, 104.55, 90.00

Refinement procedure

Resolution	49.275 - 2.280
R-factor	0.1933
Rwork	0.192
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.621
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.275	49.275	2.410
High resolution limit [Å]	2.280	6.770	2.280
Rmerge	0.099	0.036	0.575
Number of reflections	50076
<I/σ(I)>	14.08	43.54	2.78
Completeness [%]	98.2	99.1	92.3
Redundancy	19.5
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293	0.1 M sodium phosphate citrate pH 4.2, 22% (w/v) PEG 8000, 0.08% (w/v) ellipticine, 0.20% (w/v) gibbeellin A3, 0.20% (w/v) trans-cinnamic acid, 0.20% (w/v) phenol, 0.20% (w/v) succinic acid disodium salt hexahydrate and 0.02 M HEPES pH 6.8