3H7R
Crystal structure of the plant stress-response enzyme AKR4C8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-11-29 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.931 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 173.431, 39.909, 47.223 |
Unit cell angles | 90.00, 99.63, 90.00 |
Refinement procedure
Resolution | 28.240 - 1.400 |
R-factor | 0.15646 |
Rwork | 0.155 |
R-free | 0.18303 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h7u |
RMSD bond length | 0.010 |
RMSD bond angle | 1.434 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.240 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.069 | 0.395 |
Number of reflections | 62514 | |
<I/σ(I)> | 13.5 | 3.4 |
Completeness [%] | 99.1 | 99.9 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 200 mM Ammonium acetate, 50 mM Tri-sodium citrate dihydrate pH 6.0, 5% v/v Ethylene glycol, 32% w/v PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 291K |