3PV4
Structure of Legionella fallonii DegQ (Delta-PDZ2 variant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-12 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | H 3 |
Unit cell lengths | 110.890, 110.890, 67.933 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 55.460 - 3.100 |
R-factor | 0.24584 |
Rwork | 0.242 |
R-free | 0.32997 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pv2 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.377 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.460 | 55.460 | 3.270 |
High resolution limit [Å] | 3.100 | 9.800 | 3.100 |
Rmerge | 0.108 | 0.401 | |
Total number of observations | 448 | 2118 | |
Number of reflections | 5626 | ||
<I/σ(I)> | 4.3 | 4.4 | 1.8 |
Completeness [%] | 99.8 | 99 | 99.8 |
Redundancy | 2.6 | 2.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 292 | 23.5% (v/v) PEG 400, 100 mM CdCl2, 100 mM acetate pH 4.5, vapor diffusion, hanging drop, temperature 292K |