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 |