7P6L
Heme domain of CYP505A30, a fungal hydroxylase from Myceliophthora thermophila, bound to dodecanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2021-01-28 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 171.490, 171.490, 175.647 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.430 - 2.330 |
| R-factor | 0.2048 |
| Rwork | 0.203 |
| R-free | 0.23390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zoa |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.647 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.430 | 2.380 |
| High resolution limit [Å] | 2.330 | 2.340 |
| Rmerge | 0.085 | 4.010 |
| Rmeas | 0.089 | 4.174 |
| Rpim | 0.024 | 1.154 |
| Number of reflections | 110041 | 5421 |
| <I/σ(I)> | 16.2 | 0.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.3 | 13 |
| CC(1/2) | 1.000 | 0.296 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 0.1 M BICINE pH 8 10% PEG 1500 5 mM dodecanoic acid |
