4CQ5

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	99.880, 146.420, 100.480
Unit cell angles	90.00, 99.59, 90.00

Refinement procedure

Resolution	33.910 - 1.900
R-factor	0.17982
Rwork	0.178
R-free	0.20724
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yii
RMSD bond length	0.008
RMSD bond angle	1.265
Data reduction software	iMOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.060	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.100	0.490
Number of reflections	222303
<I/σ(I)>	6	2
Completeness [%]	99.6	99.1
Redundancy	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1