8FIB
Crystal Structure of Erwinia tracheiphila CYP114
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 | 2017-03-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 92.931, 97.410, 107.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.240 - 1.680 |
| R-factor | 0.1623 |
| Rwork | 0.160 |
| R-free | 0.20370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z8o |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.954 |
| Data reduction software | MOSFLM (7.1.2) |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX (1.14) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.240 | 67.240 | 1.710 |
| High resolution limit [Å] | 1.676 | 9.030 | 1.680 |
| Rmerge | 0.083 | 0.041 | 1.196 |
| Rmeas | 0.089 | 0.045 | 1.293 |
| Rpim | 0.033 | 0.017 | 0.484 |
| Total number of observations | 2793 | 18443 | |
| Number of reflections | 54653 | 411 | 2678 |
| <I/σ(I)> | 11.9 | 41.7 | 1.5 |
| Completeness [%] | 97.4 | 99.6 | 94.4 |
| Redundancy | 7 | 6.8 | 6.9 |
| CC(1/2) | 0.998 | 0.994 | 0.647 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 291 | 20-25% PEG3350, 0.1M Bis-Tris pH5.5 |
