5UQR
Crystal structure of 2-methylcitrate synthase from Aspergillus fumigatus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.724, 94.110, 124.404 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.110 - 1.750 |
R-factor | 0.14372 |
Rwork | 0.142 |
R-free | 0.17529 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.498 |
Data scaling software | HKL-2000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.078 | 0.529 |
Rmeas | 0.104 | 0.634 |
Rpim | 0.041 | 0.303 |
Number of reflections | 77525 | 3801 |
<I/σ(I)> | 16.4 | 2.33 |
Completeness [%] | 98.1 | 91.6 |
Redundancy | 5.7 | 3.9 |
CC(1/2) | 0.722 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.15 M DL-Malic Acid pH 7.0, 20% PEG3350 |