4WWF
High-resolution structure of two Ni-bound forms of the M123C mutant of C. metallidurans CnrXs
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98027 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 43.910, 47.520, 193.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.790 - 1.100 |
| R-factor | 0.1164 |
| Rwork | 0.115 |
| R-free | 0.14480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.768 |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.160 | |
| High resolution limit [Å] | 1.100 | 23.000 | 1.100 |
| Rmerge | 0.083 | 0.042 | 0.586 |
| Rmeas | 0.090 | 0.058 | 0.689 |
| Total number of observations | 937411 | ||
| Number of reflections | 156029 | 13 | 22487 |
| <I/σ(I)> | 16.03 | 9.22 | 3.51 |
| Completeness [%] | 98.1 | 72.2 | 95.6 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | PEG 3350, HEPES, ammonium sulfate |
