7JU0
RebH Variant 0S, Tryptamine 7-halogenase with bound tryptamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-08-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 62 |
| Unit cell lengths | 114.837, 114.837, 230.262 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.605 - 2.602 |
| R-factor | 0.1784 |
| Rwork | 0.177 |
| R-free | 0.21930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oa1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.065 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (1.10.1_2155) |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 5.600 | 2.600 |
| Rmerge | 0.284 | 0.259 | 1.238 |
| Rmeas | 0.308 | 0.279 | 1.380 |
| Rpim | 0.116 | 0.103 | 0.599 |
| Total number of observations | 335697 | ||
| Number of reflections | 52474 | 5273 | 5219 |
| <I/σ(I)> | 5.4 | ||
| Completeness [%] | 99.7 | 98.7 | 100 |
| Redundancy | 6.4 | 6.8 | 5.1 |
| CC(1/2) | 0.932 | 0.624 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.3M Na/K phosphate buffer, pH 6.8, Vapor diffusion, hanging drop, temperature 298K |
