6ZUB
Cu nitrite reductase from Achromobacter cycloclastes: MSOX series at 170K, dose point 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-07-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.7 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 95.356, 95.356, 95.356 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.680 - 1.080 |
| R-factor | 0.1256 |
| Rwork | 0.124 |
| R-free | 0.14990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bw4 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.427 | 42.645 | 1.140 |
| High resolution limit [Å] | 1.080 | 3.420 | 1.080 |
| Rmerge | 0.028 | 0.610 | |
| Rmeas | 0.085 | 0.031 | 0.713 |
| Rpim | 0.038 | 0.013 | 0.363 |
| Total number of observations | 588965 | 20275 | 61009 |
| Number of reflections | 122039 | 3840 | 17347 |
| <I/σ(I)> | 8.5 | 34 | 1.7 |
| Completeness [%] | 99.2 | 95 | 97.2 |
| Redundancy | 4.8 | 5.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.6M AMMONIUM SULPHATE, 100MM REMARK 280 SODIUM ACETATE, PH 4.75 |
