4UPL
Dimeric sulfatase SpAS2 from Silicibacter pomeroyi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-05 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 101.330, 105.120, 110.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.459 - 1.805 |
R-factor | 0.1653 |
Rwork | 0.163 |
R-free | 0.20810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4upi |
RMSD bond length | 0.007 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | PHENIX ((PHENIX.REFINE: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.890 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.120 | 0.730 |
Number of reflections | 108165 | |
<I/σ(I)> | 12.39 | 2.83 |
Completeness [%] | 99.5 | 96.9 |
Redundancy | 7.3 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 20% PEG3350, 0.2 M AMMONIUM FORMATE |