5ERV
Ternary complex of GephE - ADP - Tungsten cluster
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.2148 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 87.661, 99.675, 113.237 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.826 - 1.800 |
| R-factor | 0.1583 |
| Rwork | 0.156 |
| R-free | 0.20310 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.404 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.820 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.180 | 2.134 |
| Number of reflections | 46251 | |
| <I/σ(I)> | 12.3 | 1.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.2 | 13.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 0.1 M sodium acetate, 0.02 M calcium chloride, 30 % MPD |
