6JC9

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9785
Spacegroup name	P 1
Unit cell lengths	84.039, 83.879, 88.410
Unit cell angles	106.48, 109.17, 94.98

Refinement procedure

Resolution	50.590 - 2.350
R-factor	0.1734
Rwork	0.172
R-free	0.20750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dds
RMSD bond length	0.008
RMSD bond angle	1.522
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.21)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.590	50.580	2.390
High resolution limit [Å]	2.350	12.440	2.350
Rmerge	0.095	0.052	0.493
Rmeas	0.113	0.063	0.589
Rpim	0.061	0.036	0.317
Number of reflections	81461	556	3461
<I/σ(I)>	9
Completeness [%]	91.2	93	72.4
Redundancy	3.3	3.1	3.2
CC(1/2)	0.992	0.986	0.750

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