5F34
Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with S-hexadecyl Coenzyme A - P21 space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.978000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.080, 80.270, 97.380 |
| Unit cell angles | 90.00, 110.92, 90.00 |
Refinement procedure
| Resolution | 47.116 - 3.281 |
| R-factor | 0.2662 |
| Rwork | 0.264 |
| R-free | 0.30600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f2t |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.084 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.120 | |
| High resolution limit [Å] | 3.280 | 3.280 |
| Rmerge | 0.091 | 0.898 |
| Number of reflections | 17931 | |
| <I/σ(I)> | 11.18 | 1.47 |
| Completeness [%] | 99.1 | 94.36 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 100 mM HEPES pH 7.5, 500 mM ammonium sulfate and 30% (v/v) 2-methyl-2,4-pentanediol |
