3L1T
E. coli NrfA sulfite ocmplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-03 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 90.520, 82.234, 142.172 |
| Unit cell angles | 90.00, 101.08, 90.00 |
Refinement procedure
| Resolution | 50.360 - 2.300 |
| R-factor | 0.17971 |
| Rwork | 0.177 |
| R-free | 0.23809 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rdz |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.233 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.900 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 91009 | |
| <I/σ(I)> | 7.8 | 1.8 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 100mM HEPES, 20% PEG 10K, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
