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. |