5UQU
Crystal structure of mutant 2-methylcitrate synthase (mcsAG352A) 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 | 2016-06-23 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.764, 94.151, 123.492 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.100 - 1.700 |
| R-factor | 0.16003 |
| Rwork | 0.158 |
| R-free | 0.19213 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.703 |
| 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] | 50.010 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.062 | 0.799 |
| Rmeas | 0.081 | 0.785 |
| Rpim | 0.029 | 0.278 |
| Number of reflections | 81628 | 4534 |
| <I/σ(I)> | 35.19 | 3.28 |
| Completeness [%] | 94.1 | 100 |
| Redundancy | 7.8 | 7.9 |
| CC(1/2) | 0.857 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M Ammonium Sulfate, 0.1M Tris pH 8.5, 25% PEG3350 |
