4UDY
NCO- bound to cluster C of Ni,Fe-CO dehydrogenase at true-atomic resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-12 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.183, 75.008, 71.149 |
| Unit cell angles | 90.00, 111.22, 90.00 |
Refinement procedure
| Resolution | 33.160 - 1.090 |
| R-factor | 0.1363 |
| R-free | 0.16480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.031 |
| Data reduction software | XSCALE |
| Data scaling software | XSCALE |
| Refinement software | SHELXL (14) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.800 | 1.130 |
| High resolution limit [Å] | 1.090 | 1.090 |
| Rmerge | 0.060 | 0.770 |
| Number of reflections | 223489 | |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 98.0 | 94.6 |
| Redundancy | 3.69 | 3.47 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | pH 8.0 |
