2CZ1
photo-activation state of Fe-type NHase with n-BA in anaerobic condition
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2004-06-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.329, 60.792, 82.024 |
| Unit cell angles | 90.00, 124.96, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.390 |
| R-factor | 0.163 |
| Rwork | 0.163 |
| R-free | 0.19040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.026 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.440 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Number of reflections | 91170 | |
| Completeness [%] | 97.7 | 96.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | PEG8000, magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
