5EZY
Crystal structure of T2R-TTL-taccalonolide AJ complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-27 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 105.304, 158.505, 180.809 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.202 - 2.050 |
| R-factor | 0.1883 |
| Rwork | 0.187 |
| R-free | 0.20760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i55 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.822 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.108 | 0.789 |
| Number of reflections | 188559 | |
| <I/σ(I)> | 14.6 | 1.9 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 6% polyethylene glycol 4000, 8% glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2, pH 6.7 |
