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 |
