9FLJ
Crystal structure of the C-terminal domain of VldE from Streptococcus pneumoniae containing three zinc atoms at the binding site
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.2837 |
| Spacegroup name | P 3 |
| Unit cell lengths | 57.192, 57.192, 32.506 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.600 - 1.600 |
| Rwork | 0.218 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | C-TERMINAL DOMAIN OF SPR1875 CONTAINING FOUR ZINC ATOMS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.760 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.600 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.144 | |
| Number of reflections | 15644 | 753 |
| <I/σ(I)> | 7.4 | 0.8 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 8.9 | 9.8 |
| CC(1/2) | 0.381 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 100 MM HEPES, PH 7.5, 50 MM CADMIUM SULFATE, 1 M SODIUM ACETATE, 5 MM EDTA |
