5DDU

Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PMP

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 PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 1
Unit cell lengths	83.874, 83.858, 88.438
Unit cell angles	106.66, 109.25, 94.84

Refinement procedure

Resolution	50.510 - 2.460
R-factor	0.2081
Rwork	0.206
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	0.819
Data reduction software	Aimless
Data scaling software	Aimless (0.3.11)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.510	50.510	2.510
High resolution limit [Å]	2.460	12.300	2.460
Rmerge	0.163	0.120	0.627
Rpim	0.098	0.069	0.381
Total number of observations	262030	2278	14943
Number of reflections	75400
<I/σ(I)>	6.8	13.3	2.3
Completeness [%]	97.3	95.2	96.3
Redundancy	3.5	3.8	3.4
CC(1/2)	0.947	0.975	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2M Sodium acetate, 0.1M TRIS pH 8.5, 32% PEG3350, 2% glycerol