6HZH
Apo structure of TP domain from Chlamydia trachomatis penicillin-binding protein 3
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 | 2018-07-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 105.444, 105.444, 118.522 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 72.340 - 1.830 |
R-factor | 0.20072 |
Rwork | 0.198 |
R-free | 0.24226 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ye5 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.226 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MrBUMP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.340 | 2.040 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmeas | 0.120 | |
Number of reflections | 45711 | |
<I/σ(I)> | 13.9 | |
Completeness [%] | 93.9 | |
Redundancy | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 1 M sodium citrate and 0.1 M sodium cacodylate pH 6.5 |