4LZ4
X-ray structure of the complex between human thrombin and the TBA deletion mutant lacking thymine 3 nucleobase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-26 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.009 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.736, 120.725, 67.233 |
| Unit cell angles | 90.00, 94.22, 90.00 |
Refinement procedure
| Resolution | 29.620 - 2.560 |
| R-factor | 0.17114 |
| Rwork | 0.168 |
| R-free | 0.22675 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.693 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CCP4 (suite (iMosflm)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.630 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.132 | 0.397 |
| Number of reflections | 29590 | |
| Completeness [%] | 94.4 | 95.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 60% Tacsimate, 1-3% MPEG 5K or PEG 8000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
