4H2D
Crystal structure of NDOR1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-05 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.980110 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 80.450, 80.450, 101.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 12.960 - 1.800 |
| R-factor | 0.21278 |
| Rwork | 0.212 |
| R-free | 0.23387 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ja1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.285 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.100 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.083 | 0.520 |
| Number of reflections | 31433 | |
| <I/σ(I)> | 16.61 | 2.1 |
| Completeness [%] | 99.7 | 98.7 |
| Redundancy | 10.65 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2 M ammonium sulfate, 0.1 M MES, 30% PEG5000 MME, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
