9TP4
C. jejuni NrfA Sulfite Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-19 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.551, 160.835, 68.583 |
| Unit cell angles | 90.00, 116.52, 90.00 |
Refinement procedure
| Resolution | 80.420 - 1.900 |
| R-factor | 0.17911 |
| Rwork | 0.179 |
| R-free | 0.18602 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.191 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.420 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.110 | 0.607 |
| Rmeas | 0.120 | 0.658 |
| Rpim | 0.046 | 0.253 |
| Total number of observations | 31858 | |
| Number of reflections | 109123 | 4777 |
| <I/σ(I)> | 11.6 | 3.3 |
| Completeness [%] | 99.6 | |
| Redundancy | 6.6 | 6.7 |
| CC(1/2) | 0.997 | 0.860 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 38% PEG 1000, 100 mM CHES/NAOH, pH9, Strontium chloride, soaked in 100 mM dithionite |
