5L01
Tryptophan 5-hydroxylase in complex with inhibitor (3~{S})-8-[2-azanyl-6-[(1~{R})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-14 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.302, 58.167, 56.678 |
| Unit cell angles | 90.00, 97.49, 90.00 |
Refinement procedure
| Resolution | 38.560 - 1.900 |
| R-factor | 0.17153 |
| Rwork | 0.169 |
| R-free | 0.21421 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5j6d |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.976 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.900 |
| Number of reflections | 24161 |
| <I/σ(I)> | 12.2 |
| Completeness [%] | 100.0 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | 20% PEG 3350, 0.05M citrate/0.05 M Bis-tris Propane pH 7.6, 5% PEG 400 |
