4ZGW
Short-chain dehydrogenase/reductase from Serratia marcescens BCRC 10948
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 83.871, 83.871, 115.057 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.889 - 1.470 |
| R-factor | 0.1674 |
| Rwork | 0.166 |
| R-free | 0.19125 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v2g |
| RMSD bond length | 0.035 |
| RMSD bond angle | 2.919 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.520 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.076 | |
| Number of reflections | 69956 | |
| <I/σ(I)> | 36.66 | 4.44 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 11.4 | 11.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 0.8 M sodium formate, 0.1 M sodium cacodylate, 25% w/v PEG 2000 MME |
