8JML
Structure of Helicobacter pylori Soj protein mutant, D41A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-20 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.137, 94.133, 111.415 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.404 - 2.000 |
R-factor | 0.174 |
Rwork | 0.171 |
R-free | 0.22120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6iub |
RMSD bond length | 0.009 |
RMSD bond angle | 1.549 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.420 | 2.000 |
Rmerge | 0.156 | 0.050 | 0.848 |
Rmeas | 0.052 | 0.901 | |
Rpim | 0.014 | 0.298 | |
Number of reflections | 35035 | 1916 | 1715 |
<I/σ(I)> | 4.7 | ||
Completeness [%] | 100.0 | 100 | 99.9 |
Redundancy | 13.3 | 13 | 8.7 |
CC(1/2) | 0.863 | 0.999 | 0.863 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris, 0.1 M MgCl2, 14% PEG550MME, 16% PEG8000 |