8FID
Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 2)
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 | 2018-06-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 106.460, 70.030, 59.280 |
| Unit cell angles | 90.00, 95.25, 90.00 |
Refinement procedure
| Resolution | 59.031 - 1.830 |
| R-factor | 0.1892 |
| Rwork | 0.188 |
| R-free | 0.22750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7RLP |
| Data reduction software | MOSFLM (7.2) |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER (2.8.0) |
| Refinement software | PHENIX (1.14) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 59.031 | 59.030 | 1.730 |
| High resolution limit [Å] | 1.700 | 8.980 | 1.700 |
| Rmerge | 0.129 | 0.058 | 1.122 |
| Rmeas | 0.148 | 0.065 | 1.285 |
| Rpim | 0.071 | 0.030 | 0.614 |
| Total number of observations | 1509 | 10159 | |
| Number of reflections | 47323 | 344 | 2526 |
| <I/σ(I)> | 5 | 20.1 | 1.3 |
| Completeness [%] | 98.6 | 99.5 | 98.9 |
| Redundancy | 3.9 | 4.4 | 4 |
| CC(1/2) | 0.994 | 0.994 | 0.106 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.6 | 291 | 25% PEG4000, 0.1M MES/Tris pH5.6, 0.15M Ammonium sulfate, 10mM Cadmium chloride hydrate |
