5WT6
Cysteine persulfide intermediate of NifS from Helicobacter pylori
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-20 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 102.750, 102.750, 131.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.847 - 3.300 |
| R-factor | 0.2181 |
| Rwork | 0.217 |
| R-free | 0.24480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ecx |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.673 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.400 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Number of reflections | 11147 | |
| <I/σ(I)> | 13.03 | 2.37 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 14 | 14.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | HEPES/NaOH, PEG 4000, glycerol, isopropanol, L-cysteine |
