4QUP
Crystal structure of stachydrine demethylase with N-methyl proline from low X-ray dose composite datasets
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 97.746, 97.746, 177.984 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.480 - 1.700 |
| R-factor | 0.18367 |
| Rwork | 0.182 |
| R-free | 0.21690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vca |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.923 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.048 | 0.670 |
| Number of reflections | 55766 | |
| <I/σ(I)> | 10.8 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 5% PEG3350, 10% glycerol, 100 mM HEPES, pH 7.0, 25 mM hexamminecobalt chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
