6Y02
Thrombin in complex with 13k
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 | 2016-07-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979078 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.131, 71.404, 72.892 |
| Unit cell angles | 90.00, 100.51, 90.00 |
Refinement procedure
| Resolution | 43.548 - 1.480 |
| R-factor | 0.1404 |
| Rwork | 0.139 |
| R-free | 0.16400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h8d |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.550 | 1.570 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Number of reflections | 58061 | 9148 |
| <I/σ(I)> | 11.7 | 2.2 |
| Completeness [%] | 98.0 | 95.8 |
| Redundancy | 3 | 3 |
| CC(1/2) | 1.000 | 0.720 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 20mM sodium dihydrogen phosphate ph 7.5 350mM NaCl 27% PEG 8000 |
