4A6G

N-acyl amino acid racemase from Amycalotopsis sp. Ts-1-60: G291D- F323Y mutant in complex with N-acetyl methionine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	120
Detector technology	CCD
Collection date	2011-07-11
Detector	ADSC CCD
Spacegroup name	H 3 2
Unit cell lengths	216.710, 216.710, 261.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	88.310 - 2.710
R-factor	0.15816
Rwork	0.155
R-free	0.21012
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sja
RMSD bond length	0.020
RMSD bond angle	2.097
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.6.0116)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.310	2.790
High resolution limit [Å]	2.710	2.710
Rmerge	0.080	0.500
Number of reflections	60693
<I/σ(I)>	18.6	4.8
Completeness [%]	100.0	100
Redundancy	10.2	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		PROTEIN CONCENTRATION OF 8 MG ML-1 THAT HAD BEEN INCUBATED PREVIOUSLY WITH 10 MM N-ACETYL METHIONINE. CRYSTAL DROPS CONTAINED 100 MM TRIS-HCL (PH 8.0) 15% PEG 4K, 800 MM NA FORMATE