9TP1
C. jejuni NrfA with Conventional His-Ligation at the Active-Site Heme
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 | 2013-02-13 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.646, 158.965, 68.000 |
| Unit cell angles | 90.00, 117.17, 90.00 |
Refinement procedure
| Resolution | 48.140 - 1.600 |
| R-factor | 0.21005 |
| Rwork | 0.209 |
| R-free | 0.23212 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.125 |
| 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] | 79.480 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.098 | 0.545 |
| Rmeas | 0.129 | 0.708 |
| Rpim | 0.082 | 0.446 |
| Total number of observations | 17208 | |
| Number of reflections | 154998 | 7608 |
| <I/σ(I)> | 8.6 | 2.1 |
| Completeness [%] | 96.8 | |
| Redundancy | 2.3 | 2.3 |
| CC(1/2) | 0.983 | 0.491 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 38% PEG 1000, 100 mM CHES/NAOH, pH9, Strontium chloride |
