3LW8
Shigella IpgB2 in complex with human RhoA, GDP and Mg2+ (complex A)
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 | 2009-07-27 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.873 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.590, 101.600, 97.030 |
Unit cell angles | 90.00, 96.43, 90.00 |
Refinement procedure
Resolution | 48.200 - 1.850 |
R-factor | 0.18 |
Rwork | 0.177 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s1c partially refined structure of free IpgB2 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.423 |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.210 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.052 | 0.492 |
Number of reflections | 133487 | 9777 |
<I/σ(I)> | 15.11 | 2.5 |
Completeness [%] | 98.4 | 97.8 |
Redundancy | 3.5 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 20% (w/v) PEG 3350, pH 7.5, vapor diffusion, hanging drop, temperature 277K |