4B29
Crystal structures of DMSP lyases RdDddP and RnDddQII
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | I 21 3 |
Unit cell lengths | 145.540, 145.540, 145.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 102.910 - 1.720 |
R-factor | 0.16247 |
Rwork | 0.162 |
R-free | 0.17572 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.020 |
RMSD bond angle | 1.746 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 1.810 | 1.810 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.080 | 0.420 |
Number of reflections | 54495 | |
<I/σ(I)> | 22.3 | 6.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.9 | 13.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.9 | 1.2-1.4 M SODIUM/POTASSIUM PHOSPHATE AT PH 6.9 |