5DDW

Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with the PMP external aldimine adduct with Caerulomycin M

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	2015-06-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 1
Unit cell lengths	83.788, 83.687, 88.052
Unit cell angles	106.63, 109.09, 95.07

Refinement procedure

Resolution	49.250 - 2.300
R-factor	0.2001
Rwork	0.198
R-free	0.23930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	0.703
Data reduction software	Aimless
Data scaling software	Aimless (0.5.12)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.250	49.250	2.340
High resolution limit [Å]	2.300	12.600	2.300
Rmerge	0.152	0.108	0.555
Rpim	0.074	0.047	0.296
Total number of observations	398069	3211	16597
Number of reflections	86965
<I/σ(I)>	8.1	16.3	2.5
Completeness [%]	92.2	98.4	87.5
Redundancy	4.6	5.7	4
CC(1/2)	0.988	0.989	0.760

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