8B7X
X-ray structure of the CeuE Homologue from Geobacillus stearothermophilus - apo form.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97622 |
Spacegroup name | P 1 |
Unit cell lengths | 32.519, 35.725, 52.290 |
Unit cell angles | 81.57, 83.24, 65.06 |
Refinement procedure
Resolution | 32.225 - 1.420 |
Rwork | 0.166 |
R-free | 0.22810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zkw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.377 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.225 | 32.200 | 1.440 |
High resolution limit [Å] | 1.420 | 7.780 | 1.420 |
Rmerge | 0.033 | 0.025 | 0.323 |
Rmeas | 0.046 | 0.035 | 0.457 |
Rpim | 0.033 | 0.025 | 0.323 |
Number of reflections | 37722 | 389 | 3172 |
<I/σ(I)> | 5.8 | ||
Completeness [%] | 94.9 | ||
Redundancy | 2 | 2.1 | 1.7 |
CC(1/2) | 0.998 | 0.996 | 0.862 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Index D3: 0.1M HEPES, pH 7.0, 30% Jeffamine ED 2001, pH 7.0. No cryo. |