6HZO
Apo structure of TP domain from Haemophilus influenzae 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 | P 1 21 1 |
| Unit cell lengths | 76.014, 93.632, 95.830 |
| Unit cell angles | 90.00, 95.46, 90.00 |
Refinement procedure
| Resolution | 95.400 - 2.440 |
| R-factor | 0.22374 |
| Rwork | 0.224 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bjp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.658 |
| Data reduction software | DIALS |
| Data scaling software | autoPROC |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.400 | 2.690 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rmeas | 0.086 | |
| Number of reflections | 33806 | |
| <I/σ(I)> | 12.6 | |
| Completeness [%] | 91.8 | |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 20% PEG 3,350 and 0.2 M KNO3 |
