5JIR
Crystal structure of Treponema pallidum protein Tp0624
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-08 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.020, 103.500, 140.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.750 - 1.700 |
R-factor | 0.1903 |
Rwork | 0.189 |
R-free | 0.21450 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.100 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | SHELX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.020 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.089 | 0.684 |
Number of reflections | 101666 | |
<I/σ(I)> | 9.4 | 2.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.8 | 5.9 |
CC(1/2) | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 291.15 | 0.1 M Hepes pH 6.8, 0.25 M MgCl2, 14% PEG3350 |