4S00
Crystal structure of metallopeptidase-like dimethylsulphoniopropionate (DMSP) lyase RlDddP mutant Y366A in complex with acrylate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-01 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 32 |
Unit cell lengths | 175.820, 175.820, 109.637 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.292 - 2.099 |
R-factor | 0.152 |
Rwork | 0.151 |
R-free | 0.17750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.040 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MLPHARE |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Completeness [%] | 98.6 | 94.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.6 M potassium/sodium phosphate, pH 6.5 , VAPOR DIFFUSION, HANGING DROP, temperature 293K |