2WQU
Internalin domain of Listeria monocytogenes InlB: triclinic crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-19 |
Detector | MARRESEARCH |
Spacegroup name | P 1 |
Unit cell lengths | 59.660, 70.650, 124.660 |
Unit cell angles | 74.47, 83.13, 85.65 |
Refinement procedure
Resolution | 20.000 - 2.600 |
R-factor | 0.194 |
Rwork | 0.191 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h6t |
RMSD bond length | 0.006 |
RMSD bond angle | 0.978 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.140 | 0.700 |
Number of reflections | 55139 | |
<I/σ(I)> | 10.13 | 2.59 |
Completeness [%] | 92.1 | 74.8 |
Redundancy | 4.96 | 3.42 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | SITTING DROP AT 293K WITH 200 NL PROTEIN PLUS 100 NL RESERVOIR SOLUTION CONSISTING OF: 0.1 M LI2SO4, 0.1 M NA-CITRATE PH 5.6, 30% PEG400. THE PROTEIN WAS A COMPLEX CONSISTING OF MET741 AND INLB321 AT 5 MG/ML, I.E. INLB321 WAS AT 1.4 MG7ML. CRYSTAL GROWTH TIME WAS SEVERAL MONTHS. |