5WUL
Serratia marcescens short-chain dehydrogenase/reductase F98A/F202L
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 150 |
| Detector technology | CCD |
| Collection date | 2016-03-13 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 83.799, 83.799, 114.253 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.580 - 1.870 |
| R-factor | 0.14918 |
| Rwork | 0.147 |
| R-free | 0.19261 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zgw |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.029 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.580 | 1.940 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.051 | |
| Rpim | 0.014 | |
| Number of reflections | 34418 | |
| <I/σ(I)> | 44.7 | |
| Completeness [%] | 99.5 | |
| Redundancy | 13.7 | |
| CC(1/2) | 0.991 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7 | 298 | 50mM HEPES buffer (pH 7.0), 40% (v/v) tacsimate (pH 7.0), 2mM spermine, 2mM hexamine cobalt (III) chloride |
