4C5S

Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-03
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	99.751, 146.185, 100.395
Unit cell angles	90.00, 99.31, 90.00

Refinement procedure

Resolution	99.070 - 1.850
R-factor	0.1797
Rwork	0.178
R-free	0.20528
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yii
RMSD bond length	0.009
RMSD bond angle	1.297
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.730	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.070	0.450
Number of reflections	241051
<I/σ(I)>	11.3	2.3
Completeness [%]	100.0	100
Redundancy	2.9	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1