6BOL
Crystal structure of mutant 2-methylcitrate synthase mcsAG419A 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 | 63.641, 103.595, 135.149 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.200 |
| R-factor | 0.20694 |
| Rwork | 0.204 |
| R-free | 0.26212 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.711 |
| 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 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.249 | 0.872 |
| Rmeas | 0.186 | 0.738 |
| Rpim | 0.072 | 0.308 |
| Number of reflections | 47254 | 2298 |
| <I/σ(I)> | 10.6 | 2.97 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 6.5 | 5.5 |
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 |
