6EDG
Pseudomonas exotoxin A domain III T18H477L
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 | PIXEL |
Collection date | 2017-09-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03320 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.373, 48.188, 99.002 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.500 - 1.470 |
R-factor | 0.1781 |
Rwork | 0.177 |
R-free | 0.19195 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xk9 |
RMSD bond length | 0.027 |
RMSD bond angle | 2.439 |
Data reduction software | XDS (VERSION Jan 26, 2018) |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.500 | 1.540 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmeas | 0.067 | 0.959 |
Number of reflections | 32473 | 5020 |
<I/σ(I)> | 16.51 | 2.14 |
Completeness [%] | 99.4 | 96.9 |
Redundancy | 8.24 | 7.76 |
CC(1/2) | 0.999 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.66 M sodium citrate pH 7.5, 0.54 mM sodium azide, 0.3 mM dithiothreitol, 0.5 mM PJ34 1.1 M sodium citrate pH 7.5, 0.9 mM sodium azide, 0.5 mM dithiothreitol 0.5 mM PJ34 |