3ZQE
PrgI-SipD from Salmonella typhimurium in complex with deoxycholate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 171.152, 47.456, 102.627 |
| Unit cell angles | 90.00, 121.96, 90.00 |
Refinement procedure
| Resolution | 36.480 - 2.190 |
| R-factor | 0.246 |
| Rwork | 0.246 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zqb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | CNS (1.21) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.260 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.070 | 0.480 |
| Number of reflections | 34906 | |
| <I/σ(I)> | 16.02 | 4.73 |
| Completeness [%] | 95.4 | 84.4 |
| Redundancy | 5.8 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | PROTEIN WAS MIXED WITH SOLUTION CONTAINING 0.026 M NAH2PO4 AND 1.26 M K2HPO4. OBTAINED CRYSTALS WERE SOAKED FOR 72 HOURS IN SAME SOLUTION CONTAINING 0.01 M DEOXYCHOLATE. |
