5MJH
X-ray generated oxyferrous/water mixed complex of DtpA from Streptomyces lividans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.782, 70.627, 77.642 |
| Unit cell angles | 90.00, 93.01, 90.00 |
Refinement procedure
| Resolution | 77.530 - 1.450 |
| R-factor | 0.222 |
| Rwork | 0.221 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.15) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.530 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.107 | 0.749 |
| Number of reflections | 112162 | |
| <I/σ(I)> | 8 | 1.6 |
| Completeness [%] | 98.3 | 99.6 |
| Redundancy | 2.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | Crystals were grown by the vapour diffusion hanging drop method using a ferric protein solution at 13 mg/ml equilibrated against a reservoir consisting of 17-24% PEG 3000 and 50-100 mM sodium citrate, pH 5.5. |
