6CJ7
Crystal structure of Manduca sexta Serine protease inhibitor (Serpin)-12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-29 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.97914 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.997, 80.555, 55.125 |
Unit cell angles | 90.00, 102.73, 90.00 |
Refinement procedure
Resolution | 35.819 - 1.600 |
R-factor | 0.1638 |
Rwork | 0.163 |
R-free | 0.18630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dy0 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.897 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.091 | 0.045 |
Number of reflections | 45917 | 4435 |
<I/σ(I)> | 29.1 | 1.85 |
Completeness [%] | 99.0 | 96.1 |
Redundancy | 6.5 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20%PEG 8k 100mM HEPES pH 7.5 |