3WUY
Crystal structure of Nit6803
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 65 |
| Unit cell lengths | 113.545, 113.545, 161.009 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.210 - 3.100 |
| R-factor | 0.16565 |
| Rwork | 0.164 |
| R-free | 0.19237 |
| Structure solution method | MAD |
| Starting model (for MR) | Structure determined by MAD and refinement using the native data. |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.991 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.180 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Number of reflections | 20231 | |
| Completeness [%] | 99.8 | 99.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | Sodium Cacodylate, PEG4K, MPD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
