4O1S
Crystal structure of TvoVMA intein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-06-30 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 63 |
Unit cell lengths | 154.442, 154.442, 48.980 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.993 - 2.701 |
R-factor | 0.1828 |
Rwork | 0.180 |
R-free | 0.22950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2in0 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.451 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.119 | 0.589 |
Number of reflections | 18582 | |
Completeness [%] | 99.5 | 99.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M HEPES, pH7.0, 25% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 293K |