6Y5T
Crystal structure of savinase at room temperature
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 297 |
Detector technology | PIXEL |
Collection date | 2014-07-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.88560 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.704, 62.205, 75.766 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.370 - 1.100 |
R-factor | 0.1314 |
Rwork | 0.130 |
R-free | 0.14980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4cfy |
RMSD bond length | 0.006 |
RMSD bond angle | 0.848 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.080 | 1.110 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.070 | 1.341 |
Number of reflections | 91686 | 4525 |
<I/σ(I)> | 19.8 | |
Completeness [%] | 99.7 | |
Redundancy | 4.9 | |
CC(1/2) | 0.998 | 0.502 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 298 | 0.2 M NaBr, 0.1 M Bis Tris propane, 20% PEG3350 |