2GGH

The mutant A68C-D72C-NLQ of Deinococcus Radiodurans Nacylamino acid racemase

Replaces:  2FKRReplaces:  2BA8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2004-12-23
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 4
Unit cell lengths	116.188, 116.188, 120.815
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.19049
Rwork	0.188
R-free	0.22797
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r0m
RMSD bond length	0.010
RMSD bond angle	1.199
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	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	81312
Completeness [%]	99.2	98.4

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