6UN3
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with ticarcillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.790, 83.260, 89.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.630 - 1.900 |
| R-factor | 0.2039 |
| Rwork | 0.201 |
| R-free | 0.26680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3oc2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.705 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.872 | 45.586 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.044 | 0.643 | |
| Rmeas | 0.143 | 0.049 | 0.715 |
| Rpim | 0.057 | 0.020 | 0.295 |
| Total number of observations | 187384 | 5999 | 27118 |
| Number of reflections | 35128 | 1107 | 5253 |
| <I/σ(I)> | 6.5 | 15.1 | 2 |
| Completeness [%] | 86.5 | 80 | 89.4 |
| Redundancy | 5.3 | 5.4 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20 % PEG 3350 0.2M CaOAc |
