2ORM

Crystal Structure of the 4-Oxalocrotonate Tautomerase Homologue DmpI from Helicobacter pylori.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	108
Detector technology	IMAGE PLATE
Collection date	2000-08-10
Detector	RIGAKU RAXIS IV
Spacegroup name	P 1 21 1
Unit cell lengths	41.830, 50.770, 89.310
Unit cell angles	90.00, 99.13, 90.00

Refinement procedure

Resolution	24.500 - 2.100
R-factor	0.217
Rwork	0.217
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bjp
RMSD bond length	0.007
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.500	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	20368
<I/σ(I)>	13.5	4
Completeness [%]	90.0	90
Redundancy	5.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	277	2 uL of protein (20 mg/mL) in 20mM phosphate buffer (pH 7.4) were mixed with 2 uL of 0.2M CaCl2, 0.1M Hepes (pH 7.5), and 28% PEG 400. This combined volume was equilibrated at 4 degrees Celcius against 50 uL of 0.2M CaCl2, 0.1M Hepes (pH 7.5), and 28% PEG 400 , VAPOR DIFFUSION, SITTING DROP, temperature 277K, pH 7.50