3PQU
The crystal structures of porcine pathogen AsH57_TbpB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Detector technology | CCD |
Collection date | 2009-12-17 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 90.670, 74.470, 106.400 |
Unit cell angles | 90.00, 105.70, 90.00 |
Refinement procedure
Resolution | 44.755 - 2.100 |
R-factor | 0.1744 |
Rwork | 0.172 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hol |
RMSD bond length | 0.007 |
RMSD bond angle | 1.071 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | PHENIX (1.5_2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.890 |
High resolution limit [Å] | 1.820 | 3.920 | 1.820 |
Rmerge | 0.088 | 0.054 | |
Number of reflections | 79607 | ||
<I/σ(I)> | 8 | ||
Completeness [%] | 63.4 | 99.8 | 1.8 |
Redundancy | 3.7 | 5.1 | 1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M Bis-Tris, 0.4 M lithium sulfate, 17% PEG 3350, 20% glycerol, pH 5.5, vapor diffusion, hanging drop, temperature 293K |