4A6V
X-ray structures of oxazole hydroxamate EcMetAp-Mn complexes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.230, 61.250, 77.760 |
Unit cell angles | 90.00, 107.62, 90.00 |
Refinement procedure
Resolution | 74.110 - 1.460 |
R-factor | 0.16234 |
Rwork | 0.159 |
R-free | 0.22251 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2mat |
RMSD bond length | 0.023 |
RMSD bond angle | 2.054 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.060 | 1.540 |
High resolution limit [Å] | 1.460 | 1.460 |
Rmerge | 0.090 | 0.280 |
Number of reflections | 80700 | |
<I/σ(I)> | 7.1 | 3.4 |
Completeness [%] | 98.3 | 97.3 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | VAPOUR DIFFUSION 17 TO 25 % PEG 8000, HEPES, pH 7.5 |