5T8B
Crystal structure of lpg1496 under 350 MPa
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 | 2015-11-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 75.618, 75.618, 99.991 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.704 - 1.500 |
R-factor | 0.1713 |
Rwork | 0.170 |
R-free | 0.19620 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.829 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.966 | |
Number of reflections | 47082 | |
<I/σ(I)> | 40.6 | 2 |
Completeness [%] | 99.8 | 97.7 |
Redundancy | 24 | 14 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 293 | 12% PEG6000, 0.2M MgCl2, 0.1M Tris-HCl, pH8.4 |