8BO5
COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 3
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-11-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97887 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.761, 59.742, 66.929 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.588 - 1.700 |
Rwork | 0.154 |
R-free | 0.17360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in house model |
RMSD bond length | 0.010 |
RMSD bond angle | 1.539 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.590 | 1.750 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmeas | 0.082 | 0.742 |
Number of reflections | 26387 | 2026 |
<I/σ(I)> | 15.76 | 2.42 |
Completeness [%] | 99.3 | |
Redundancy | 6.9 | |
CC(1/2) | 0.998 | 0.752 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M citrate buffer pH 4.5 and 20-30% PEG4000 |