4CE5

First crystal structure of an (R)-selective omega-transaminase from Aspergillus terreus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-25
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	C 2 2 21
Unit cell lengths	105.670, 135.310, 116.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.483 - 1.630
R-factor	0.1386
Rwork	0.137
R-free	0.16690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ENSEMBLE OF SELECTED HOMOLOGOUS PROTEINS
RMSD bond length	0.007
RMSD bond angle	1.074
Data reduction software	xia2
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.640	1.690
High resolution limit [Å]	1.630	1.630
Rmerge	0.090	0.720
Number of reflections	103737
<I/σ(I)>	19.47	2.99
Completeness [%]	100.0	100
Redundancy	7.43	7.43

Crystallization Conditions

crystal ID	method	pH	temperature	details
1