5T02
Structural characterisation of mutant Asp39Ala of thioesterase (NmACH) from Neisseria meningitidis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 226.070, 226.070, 68.320 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.789 - 2.800 |
| R-factor | 0.1751 |
| Rwork | 0.173 |
| R-free | 0.21210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ien |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.263 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.790 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.041 | 0.177 |
| Number of reflections | 49406 | |
| <I/σ(I)> | 13.87 | 5.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.5 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296 | 0.4 M ammonium phosphate monobasic |
