4NI5
Crystal Structure of a Short Chain Dehydrogenase from Brucella suis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 62.440, 130.390, 114.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.1521 |
| Rwork | 0.151 |
| R-free | 0.18070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vtz |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.500 |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.5) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.740 | |
| High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
| Rmerge | 0.073 | 0.026 | 0.470 |
| Number of reflections | 51407 | 639 | 3659 |
| <I/σ(I)> | 19.04 | 49.44 | 3.7 |
| Completeness [%] | 99.7 | 97.9 | 96.9 |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | JCSG(d2): 30% PEG 400, 200mM MgCl2, 0.1M HEPES/NaOH pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
