7CET
Crystal structure of D-cycloserine-bound form of cysteine desulfurase NifS from Helicobacter pylori
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 103.200, 103.200, 133.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.140 - 2.640 |
| R-factor | 0.1967 |
| Rwork | 0.194 |
| R-free | 0.24170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wt2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.761 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.140 | 48.140 | 2.734 |
| High resolution limit [Å] | 2.640 | 10.000 | 2.640 |
| Rmerge | 0.052 | 0.016 | 0.731 |
| Rmeas | 0.056 | 0.018 | 0.789 |
| Rpim | 0.020 | 0.287 | |
| Total number of observations | 156707 | ||
| Number of reflections | 21427 | 706 | 2080 |
| <I/σ(I)> | 25.38 | 58.9 | 2.97 |
| Completeness [%] | 98.0 | 93.3 | 97.6 |
| Redundancy | 3.966 | 4.007 | 3.919 |
| CC(1/2) | 0.997 | 1.000 | 0.821 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.085 M Sodium HEPES, 17% (w/v) PEG 4000, 8.5% (v/v) Isopropyl alcohol, 15% (v/v) Glycerol |
