2ODO

Crystal structure of Pseudomonas Fluorescens alanine racemase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS V
Wavelength(s)	1.5418
Spacegroup name	I 41
Unit cell lengths	186.739, 186.739, 103.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.320 - 2.800
R-factor	0.2159
Rwork	0.214
R-free	0.24659
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rcq
RMSD bond length	0.006
RMSD bond angle	1.046
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.085	0.318
Number of reflections	41244
<I/σ(I)>	5.4
Completeness [%]	93.7	61.4
Redundancy	3.5	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			VAPOR DIFFUSION, HANGING DROP