6KNH
Crystal structure of SbnH in complex with citrate, a PLP-dependent decarboxylase in Staphyloferrin B biothesynthesis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 175.291, 79.585, 111.656 |
| Unit cell angles | 90.00, 102.48, 90.00 |
Refinement procedure
| Resolution | 50.010 - 1.760 |
| R-factor | 0.1697 |
| Rwork | 0.169 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j66 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.215 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.088 | 0.490 |
| Number of reflections | 139539 | 13626 |
| <I/σ(I)> | 21.6 | |
| Completeness [%] | 95.1 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 290 | 0.2 M NaAC, 50mM Bis-Tris pH6.0, 23% PEG 3,350 |
