8B4M
Crystal structure of a hydropyrene synthase (M75L variant) in its closed conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-25 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 106.722, 82.316, 148.294 |
| Unit cell angles | 90.00, 92.31, 90.00 |
Refinement procedure
| Resolution | 49.538 - 3.040 |
| R-factor | 0.2545 |
| Rwork | 0.252 |
| R-free | 0.30740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | XXXX |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.150 |
| High resolution limit [Å] | 3.040 | 3.040 |
| Rmeas | 0.310 | 1.524 |
| Number of reflections | 48303 | 7398 |
| <I/σ(I)> | 5.1 | 0.9 |
| Completeness [%] | 96.9 | |
| Redundancy | 4.7 | |
| CC(1/2) | 0.995 | 0.439 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Naformiat and 19% (v/v) PEG 3350 |
