6JCA

Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in I222 space group

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	2014-11-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9785
Spacegroup name	I 2 2 2
Unit cell lengths	115.090, 125.220, 155.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.100
R-factor	0.1879
Rwork	0.186
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dds
RMSD bond length	0.008
RMSD bond angle	1.538
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.7.3)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.610	62.610	2.150
High resolution limit [Å]	2.100	9.620	2.100
Rmerge	0.102	0.026	0.746
Rmeas	0.117	0.030	0.848
Rpim	0.055	0.014	0.398
Number of reflections	64955	751	4542
<I/σ(I)>	11.1
Completeness [%]	99.2	99.3	99.9
Redundancy	4.2	4.3	4.4
CC(1/2)	0.995	0.998	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% PEG5000 MME, 100mM Tris pH 8.0 and 200mM Lithium sulfate