6HR4
Apo form of penicillin-binding protein 3 from P. aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-23 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.548, 82.140, 88.113 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.080 - 1.190 |
| R-factor | 0.20807 |
| Rwork | 0.207 |
| R-free | 0.22580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3oc2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.482 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.000 | 1.210 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmeas | 0.054 | 0.714 |
| Number of reflections | 120346 | |
| <I/σ(I)> | 14.5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 25%(w/v) polyethylene glycol 3350, 0.1M Bis-Tris propane, 1%(w/v) protamine sulphate, pH 7.8. |
