4LUT

alanine racemase [Clostridium difficile 630] complex with cycloserine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-10-05
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.514179
Spacegroup name	P 21 21 21
Unit cell lengths	57.840, 138.970, 144.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.620 - 2.260
R-factor	0.21198
Rwork	0.210
R-free	0.24788
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lus
RMSD bond length	0.008
RMSD bond angle	1.352
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.720	2.330
High resolution limit [Å]	2.260	2.260
Rmerge	0.130	0.893
Number of reflections	35794
<I/σ(I)>	8.7	1.8
Completeness [%]	64.8	55.5
Redundancy	5.7	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	20mg/ml protein in 50mM Tris pH 8.0, 0.02% v/v BME, 10 micromolar pyridoxal-L-phosphate, crystallization buffer 0.1M cycloserine, 0.2M sodium formate, 20% w/V PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K