6BJ5
Structure of the Clinically used Myxomaviral Serine Protease Inhibitor 1 (SERP-1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.012, 122.066, 130.095 |
Unit cell angles | 90.00, 94.88, 90.00 |
Refinement procedure
Resolution | 19.830 - 2.500 |
R-factor | 0.209 |
Rwork | 0.207 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lw2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.354 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.041 | 0.602 |
Number of reflections | 51618 | 2645 |
<I/σ(I)> | 11.4 | |
Completeness [%] | 97.1 | 98.2 |
Redundancy | 3.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 0.2 M POTASSIUM CHLORIDE, 0.05 M MAGNESIUM CHLORIDE HEXAHYDRATE, 0.05 M TRIS-HCL PH 7.5, 10% W/V POLYETHYLENE GLYCOL (PEG) 4,000, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K |