4A3Q

The 2.15 Angstrom resolution crystal structure of Staphylococcus aureus alanine racemase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2010-10-18
Detector	RIGAKU-MSC R-AXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	65.140, 113.940, 125.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.410 - 2.150
R-factor	0.19084
Rwork	0.188
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sft
RMSD bond length	0.014
RMSD bond angle	1.350
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.910	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.060	0.190
Number of reflections	49388
<I/σ(I)>	15.2	6.3
Completeness [%]	96.1	91
Redundancy	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5		100 MM SODIUM ACETATE TRIHYDRATE (PH 5.0), 1.8 M AMMONIUM SULFATE.