4CMD

The (R)-selective transaminase from Nectria haematococca

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	106.062, 133.894, 61.666
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.140 - 1.680
R-factor	0.15965
Rwork	0.158
R-free	0.18796
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wrv
RMSD bond length	0.010
RMSD bond angle	1.386
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.900	1.730
High resolution limit [Å]	1.680	1.680
Rmerge	0.100	0.840
Number of reflections	93564
<I/σ(I)>	13.9	2.2
Completeness [%]	98.8	94.3
Redundancy	5.6	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1