4POV
ThiT with LMG135 bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-27 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.000002 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 62.720, 84.350, 127.250 |
| Unit cell angles | 90.00, 96.08, 90.00 |
Refinement procedure
| Resolution | 48.042 - 2.200 |
| R-factor | 0.1852 |
| Rwork | 0.185 |
| R-free | 0.23690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rlb |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.345 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CCP4 |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.042 | 2.265 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 33341 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 99.4 | 0.97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 278 | 0.15 M NH4NO3, 20% PEG3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
