6JYV
Structure of an isopenicillin N synthase from Pseudomonas aeruginosa PAO1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.510, 115.690, 68.830 |
| Unit cell angles | 90.00, 90.90, 90.00 |
Refinement procedure
| Resolution | 35.912 - 1.651 |
| R-factor | 0.165 |
| Rwork | 0.163 |
| R-free | 0.20810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ips |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.995 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rpim | 0.028 | 0.224 |
| Number of reflections | 75702 | 3770 |
| <I/σ(I)> | 24.5 | 3.3 |
| Completeness [%] | 95.3 | 95.1 |
| Redundancy | 13.8 | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 20% (w/v) PEG 3350, 0.1 M Bis-Tris propane, pH 6.5, 0.2 M NaF |
