8EUK
cytochrome P450terp (cyp108A1) bound to ethylene glycol
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] | 77 |
| Detector technology | CCD |
| Collection date | 2022-06-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 68.730, 68.730, 457.039 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 59.520 - 1.980 |
| R-factor | 0.1814 |
| Rwork | 0.180 |
| R-free | 0.20640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cpt |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.350 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.520 | 2.055 |
| High resolution limit [Å] | 1.980 | 1.984 |
| Rpim | 0.018 | 0.050 |
| Number of reflections | 46098 | 4465 |
| <I/σ(I)> | 27.93 | 11.55 |
| Completeness [%] | 99.9 | 99.98 |
| Redundancy | 20.1 | |
| CC(1/2) | 0.998 | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.06 M magnesium chloride hexahyrate, 0.06 M calcium chloride dihydrate, 0.1 M sodium HEPES and MOPS (acid) pH 7.5, 20% v/v ethylene glycol, 10% v/v PEG 8000 |
