6JC7

Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with amino donor L-Ala

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 1
Unit cell lengths	83.761, 83.653, 87.975
Unit cell angles	106.48, 109.07, 95.12

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.2061
Rwork	0.204
R-free	0.25420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dds
RMSD bond length	0.010
RMSD bond angle	1.664
Data reduction software	DIALS
Data scaling software	Aimless (0.7.2)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.580	78.580	2.240
High resolution limit [Å]	2.200	12.050	2.200
Rmerge	0.084	0.038	0.482
Rmeas	0.099	0.045	0.569
Rpim	0.052	0.023	0.299
Number of reflections	99929	648	4846
<I/σ(I)>	5.9
Completeness [%]	92.9	99.5	92.6
Redundancy	3.5	3.5	3.4
CC(1/2)	0.996	0.996	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	0.2M Sodium acetate, 0.1M TRIS pH 8.5, 32%PEG 3350, 2% glycerol