4LZ1
X-ray structure of the complex between human thrombin and the TBA deletion mutant lacking thymine 12 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) | 1.0099 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.892, 44.484, 52.643 |
| Unit cell angles | 65.24, 82.53, 63.72 |
Refinement procedure
| Resolution | 25.200 - 1.650 |
| R-factor | 0.15698 |
| Rwork | 0.155 |
| R-free | 0.19011 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.155 |
| 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] | 30.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.053 | 0.480 |
| Number of reflections | 36813 | |
| Completeness [%] | 96.7 | 93.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 293 | PEG 3350 25%, 0.2 M ammonium acetate, 0.1 M Bis/Tris, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
