8FBC
Crystal structure of P450T2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-09-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 85.931, 95.610, 100.433 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.800 - 1.530 |
| R-factor | 0.1646 |
| Rwork | 0.164 |
| R-free | 0.19080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.849 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.800 | 1.580 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.059 | |
| Number of reflections | 119252 | 10768 |
| <I/σ(I)> | 15.7 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7 | |
| CC(1/2) | 0.999 | 0.367 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Ammonium Sulfate 20 % PEG 3,350 |
