5ERT
GephE in complex with Mn(2+) - ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-23 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9640 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 87.440, 99.090, 111.895 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.558 - 2.000 |
R-factor | 0.1766 |
Rwork | 0.175 |
R-free | 0.20530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pd0 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.994 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.960 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.195 | 1.589 |
Number of reflections | 33205 | |
<I/σ(I)> | 11.6 | 1.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.9 | 12.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 0.1 M sodium acetate, 26% MPD |