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 |