2D0Q
Complex of Fe-type NHase with Cyclohexyl isocyanide, photo-activated for 1hr at 277K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-05-17 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.02 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.352, 60.201, 81.585 |
| Unit cell angles | 90.00, 125.10, 90.00 |
Refinement procedure
| Resolution | 40.220 - 1.650 |
| R-factor | 0.15439 |
| Rwork | 0.154 |
| R-free | 0.16455 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.131 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.220 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 53428 | |
| Completeness [%] | 97.7 | 83.2 |
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 277K |
