7CBB
Crystal structure of SbnC in the biosynthesis of staphyloferrin B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.978763716744 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 140.810, 151.319, 197.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.600 |
| R-factor | 0.19745 |
| Rwork | 0.197 |
| R-free | 0.21110 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.197 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AutoSol |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.660 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rpim | 0.029 | 0.209 |
| Number of reflections | 64879 | 4487 |
| <I/σ(I)> | 20.7 | 3.3 |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 13.1 | 13.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.2 M tri-Lithium citrate, 22% PEG3350 |
