2CJP
Structure of potato (Solanum tuberosum) epoxide hydrolase I (StEH1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-08-03 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.926, 98.532, 122.033 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.600 - 1.950 |
R-factor | 0.205 |
Rwork | 0.203 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vj5 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.064 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.600 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.060 | 0.470 |
Number of reflections | 49514 | |
<I/σ(I)> | 20.9 | 3.1 |
Completeness [%] | 99.2 | 98.6 |
Redundancy | 5.1 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 1 UL DROPS OF PROTEIN SOLUTION (7.2 MG/ML, I.E. 0.2 MM, IN 30 MM TRIS-HCL, PH 7.4, 5 MM VALPROMIDE) WERE MIXED WITH 1 UL DROPS OF RESERVOIR SOLUTION (CONTAINING 90 MM NA-HEPES, PH 7.5, 25% PEG 10, 000), AND EQUILIBRATED BY SITTING-DROP VAPOR DIFFUSION AT ROOM TEMPERATURE. |