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 . |
