6BOM
Crystal structure of mutant 2-methylcitrate synthase mcsAG306A from Aspergillus fumigatus.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-04-07 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.021, 128.860, 258.462 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.050 |
| R-factor | 0.18277 |
| Rwork | 0.181 |
| R-free | 0.21159 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5uqo |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.642 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.065 | 0.691 |
| Rmeas | 0.091 | 0.783 |
| Rpim | 0.039 | 0.323 |
| Number of reflections | 171718 | 8490 |
| <I/σ(I)> | 29.2 | 2.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.6 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M Tris pH 7.5 25% PEG3350 |
