5MLN
The crystal structure of alcohol dehydrogenase 10 from Candida magnoliae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-09-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.872899 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 74.178, 80.425, 80.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.300 - 1.600 |
| R-factor | 0.14729 |
| Rwork | 0.146 |
| R-free | 0.17963 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v2g |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.292 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.300 | 1.650 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.058 | 0.779 |
| Number of reflections | 65173 | |
| <I/σ(I)> | 20.5 | 2.6 |
| Completeness [%] | 100.0 | 99 |
| Redundancy | 8.1 | 8.2 |
| CC(1/2) | 1.000 | 0.767 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100mM MES pH 6.5, 40% PEG 200. Soaked 20mM 4R-hydroxyisophorone |
