4GLO
Crystal structure of a short chain dehydrogenase homolog (target EFI-505321) from burkholderia multivorans, with bound NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-09 |
| Detector | RAYONIX MX-225 |
| Spacegroup name | P 61 |
| Unit cell lengths | 99.590, 99.590, 206.389 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.750 - 1.800 |
| R-factor | 0.152 |
| Rwork | 0.150 |
| R-free | 0.18100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gkb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.522 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.247 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.131 | 0.810 |
| Number of reflections | 106861 | |
| <I/σ(I)> | 12.7 | 1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.4 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 298 | Protein (50 mM Hepes pH 7.5; Reservoir (100 mM MES pH 6.0, 1.3 M AmSO4); Cryoprotection (Reservoir, + 20% Ethylene glycol + 5 mM NAD), sitting drop vapor diffusion, temperature 298K |
