2EQ5

Crystal structure of hydantoin racemase from Pyrococcus horikoshii OT3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-11-04
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 65
Unit cell lengths	152.707, 152.707, 81.257
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.16
Rwork	0.160
R-free	0.22200
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.073	0.413
Number of reflections	54955
<I/σ(I)>	13.9	5.29
Completeness [%]	99.8	99
Redundancy	7.5	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.1	295	11.25% (w/v) PEG 8000, 0.5M Li2SO4, pH 4.1, microbatch, temperature 295K
1	MICROBATCH	4.1	295	11.25% (w/v) PEG 8000, 0.5M Li2SO4, pH 4.1, microbatch, temperature 295K
1	MICROBATCH	4.1	295	11.25% (w/v) PEG 8000, 0.5M Li2SO4, pH 4.1, microbatch, temperature 295K