6VDQ
Crystal structure of SfmD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 59.900, 59.900, 155.759 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.220 - 1.780 |
R-factor | 0.2011 |
Rwork | 0.199 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6vdp |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.810 |
High resolution limit [Å] | 1.780 | 4.830 | 1.780 |
Rmerge | 0.065 | 0.048 | 0.880 |
Rmeas | 0.068 | 0.051 | 0.917 |
Rpim | 0.019 | 0.014 | 0.256 |
Total number of observations | 404391 | ||
Number of reflections | 31968 | 1778 | 1590 |
<I/σ(I)> | 10.6 | ||
Completeness [%] | 99.9 | 99.8 | 100 |
Redundancy | 12.6 | 11.7 | 12.5 |
CC(1/2) | 0.999 | 0.911 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.1 M Tris pH 8.5, 0.2 M magnesium chloride, 30% PEG 4000 |