2OP8

Crystal Structure of YwhB- Homologue of 4-Oxalocrotonate Tautomerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	98
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	I 4 3 2
Unit cell lengths	141.800, 141.800, 141.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.218
Rwork	0.218
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bjp
RMSD bond length	0.007
RMSD bond angle	29.900
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	8746
<I/σ(I)>	21.5	6
Completeness [%]	99.9	0.9
Redundancy	68.27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	277	protein (25 mg/ml) buffered in 50 mM HEPES, pH 7.3, 5uL of protein solution mixed with 5uL of 50% methyl-pentanediol (MPD), 0.2M (NH4)H2PO4, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K, pH 7.30