2QDY
Crystal Structure of Fe-type NHase from Rhodococcus erythropolis AJ270
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 3W1A |
| Synchrotron site | BSRF |
| Beamline | 3W1A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.99 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.064, 60.068, 81.761 |
| Unit cell angles | 90.00, 125.15, 90.00 |
Refinement procedure
| Resolution | 35.300 - 1.300 |
| R-factor | 0.131 |
| Rwork | 0.129 |
| R-free | 0.15700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ahj |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.710 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.300 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.061 | 0.391 |
| Number of reflections | 110580 | |
| <I/σ(I)> | 13.9 | 2.39 |
| Completeness [%] | 99.7 | 97.6 |
| Redundancy | 4.1 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 23% PEG 8000, 0.3M magnesium chloride, 0.1M TrisHCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
