6HZQ
Apo structure of TP domain from Escherichia coli Penicillin-Binding Protein 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 91.870, 150.025, 43.053 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.350 - 1.950 |
R-factor | 0.2734 |
Rwork | 0.273 |
R-free | 0.27953 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bjp |
RMSD bond length | 0.012 |
RMSD bond angle | 1.605 |
Data reduction software | xia2 |
Data scaling software | autoPROC |
Phasing software | MrBUMP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.350 | 2.230 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmeas | 0.300 | |
Number of reflections | 11868 | |
<I/σ(I)> | 8 | |
Completeness [%] | 88.1 | |
Redundancy | 12.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 20% PEG 6,000, 0.1 M CaCl2, 15% ethylene glycol and 0.1 M TrisHCl pH 9 |