7CU0
Crystal structure of Streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2017-03-22 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.879, 118.311, 87.006 |
| Unit cell angles | 90.00, 104.36, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.950 |
| R-factor | 0.196 |
| Rwork | 0.193 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hy5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.392 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.750 | 1.990 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.053 | 0.135 |
| Rmeas | 0.060 | 0.167 |
| Rpim | 0.027 | 0.096 |
| Total number of observations | 315022 | 11971 |
| Number of reflections | 76620 | 4525 |
| <I/σ(I)> | 18.3 | 6.3 |
| Completeness [%] | 98.0 | 98.2 |
| Redundancy | 4.1 | 2.6 |
| CC(1/2) | 0.997 | 0.972 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7 | 293 | 0.28-0.38M NaF, 23-31% w/v PEG 3350 |
