7ANT
Structure of CYP153A from Polaromonas sp.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2017-05-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.852, 98.501, 112.627 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.640 - 1.520 |
| R-factor | 0.2078 |
| Rwork | 0.207 |
| R-free | 0.23090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rwl |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.770 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.840 | 1.560 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.120 | 1.030 |
| Rpim | 0.080 | 0.740 |
| Number of reflections | 125021 | 9158 |
| <I/σ(I)> | 6 | 1.2 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.2 | |
| CC(1/2) | 0.980 | 0.570 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 0.2 M ammonium chloride, 0.1 M MES, pH 6.0 and 20 % (w/v) PEG 6K. |
