2GGG

The mutant A68C-D72C of Deinococcus Radiodurans N-acylamino acid racemase

Replaces:  2FKQReplaces:  2BA6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Temperature [K]	113
Detector technology	CCD
Collection date	2004-07-11
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98
Spacegroup name	P 4
Unit cell lengths	115.636, 115.636, 120.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.400
R-factor	0.17222
Rwork	0.170
R-free	0.20717
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r0m
RMSD bond length	0.011
RMSD bond angle	1.363
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	62089
Completeness [%]	99.4	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	lithium sulfate, Tris-HCl, PEG4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K