2YHE
Structure determination of the stereoselective inverting sec- alkylsulfatase Pisa1 from Pseudomonas sp.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-26 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.734, 200.587, 245.332 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.910 - 2.700 |
R-factor | 0.18492 |
Rwork | 0.183 |
R-free | 0.23049 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | SWISS MODEL SERVER |
RMSD bond length | 0.014 |
RMSD bond angle | 1.834 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.910 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.170 | 0.800 |
Number of reflections | 102022 | |
<I/σ(I)> | 4.4 | 1 |
Completeness [%] | 99.8 | 100 |
Redundancy | 10.1 | 9.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.5 | 4 MG/ML PISA1, 18 % W/V PEG 2000, 0.42 MM SODIUM ACETATE PH 4.5 . |