5ERU
Ternary complex of GephE - ADP - Molybdenum cluster
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.6187 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 87.680, 99.100, 113.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.840 - 1.600 |
R-factor | 0.1487 |
Rwork | 0.147 |
R-free | 0.17570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pd0 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.171 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SHELX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.520 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.093 | 1.724 |
Number of reflections | 65106 | |
<I/σ(I)> | 19.2 | 2.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 20.5 | 20.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium acetate, 0.02 M calcium chloride, 24% MPD |