4E3E
CRYSTAL STRUCTURE OF putative MaoC domain protein dehydratase from Chloroflexus aurantiacus J-10-fl
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | H 3 |
| Unit cell lengths | 133.438, 133.438, 170.798 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.410 - 1.900 |
| R-factor | 0.143 |
| Rwork | 0.141 |
| R-free | 0.18830 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.263 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | RESOLVE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.069 | 0.031 | 0.811 |
| Number of reflections | 178479 | ||
| <I/σ(I)> | 10.3 | ||
| Completeness [%] | 99.8 | 98.8 | 98.2 |
| Redundancy | 4.2 | 4.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1M sodium citrate:citric acid, pH 5.5, 40% PEG600, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
