5T2V
Crystal structure of MSMEG_6753 a putative betaketoacyl-ACP reductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.873 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 73.930, 75.500, 77.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.900 - 1.900 |
| R-factor | 0.1637 |
| Rwork | 0.161 |
| R-free | 0.19060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bnu |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.618 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.900 | 1.968 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.135 | 0.821 |
| Number of reflections | 17367 | |
| <I/σ(I)> | 11.27 | 2.21 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 6.6 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1M Hepes-Na pH 7.5, 30% peg400, 0.2M magnesium chloride hexahydrate |
