5CHP
T. maritima ThyX in complex with TyC5-03
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97630 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 110.580, 110.580, 122.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.740 - 1.700 |
| R-factor | 0.17131 |
| Rwork | 0.170 |
| R-free | 0.20050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kq4 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.576 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 31.560 |
| High resolution limit [Å] | 1.700 |
| Number of reflections | 39623 |
| <I/σ(I)> | 20 |
| Completeness [%] | 99.7 |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | Hanging drop, soaking regrown crystal with the organic compound |
