5L6N
Disulfated madanin-thrombin complex
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 | 2015-11-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96863 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.546, 80.238, 91.369 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.701 - 1.627 |
R-factor | 0.1682 |
Rwork | 0.167 |
R-free | 0.19850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u69 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.898 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.550 | 1.710 |
High resolution limit [Å] | 1.627 | 1.630 |
Rmerge | 0.064 | |
Number of reflections | 41771 | |
<I/σ(I)> | 13.6 | |
Completeness [%] | 99.6 | |
Redundancy | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M MMT buffer pH 7.0, 30% (w/v) PEG 1500 |