2RDZ
High Resolution Crystal Structure of the Escherichia coli Cytochrome c Nitrite Reductase.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-18 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 90.460, 79.300, 137.580 |
| Unit cell angles | 90.00, 101.57, 90.00 |
Refinement procedure
| Resolution | 39.650 - 1.740 |
| R-factor | 0.156 |
| Rwork | 0.154 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gu6 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.298 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 134.840 | 1.830 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.073 | 0.351 |
| Total number of observations | 81691 | |
| Number of reflections | 193642 | |
| <I/σ(I)> | 7.7 | 2.1 |
| Completeness [%] | 99.1 | 94.1 |
| Redundancy | 3.9 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | Crystals were obtained in 100 mM HEPES pH 7.5, 20 % PEG 10 K. , VAPOR DIFFUSION, HANGING DROP, temperature 277K |
