4UPI
Dimeric sulfatase SpAS1 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 | 2007-10-15 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.027, 86.029, 82.874 |
| Unit cell angles | 90.00, 115.19, 90.00 |
Refinement procedure
| Resolution | 37.497 - 1.250 |
| R-factor | 0.1424 |
| Rwork | 0.141 |
| R-free | 0.16310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1E2S 2vqr 1fsu 1p49 1HTH AS AN ENSEMBLE |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.123 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.990 | 1.280 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.040 | 0.510 |
| Number of reflections | 160317 | |
| <I/σ(I)> | 15.97 | 2.2 |
| Completeness [%] | 98.4 | 89.1 |
| Redundancy | 3.8 | 2.87 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 M TRIS-HCL PH 8.0, 20% (W/V) PEG 6000, 0.75 M LICL |
