5XFS
Crystal structure of PE8-PPE15 in complex with EspG5 from M. tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.69 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.740, 69.960, 203.549 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.599 - 2.900 |
R-factor | 0.2157 |
Rwork | 0.213 |
R-free | 0.26240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4w4l |
RMSD bond length | 0.009 |
RMSD bond angle | 1.106 |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 29.600 |
High resolution limit [Å] | 2.900 |
Rmerge | 0.133 |
Number of reflections | 17933 |
<I/σ(I)> | 6.7 |
Completeness [%] | 99.5 |
Redundancy | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 200 mM Sodium Chloride, 100 mM Tris pH 8.5, 25% (w/v) PEG 3350 |