6A8U
PhoQ sensor domain (wild type): analysis of internal cavity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-06-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.030, 68.230, 112.896 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.493 - 1.848 |
R-factor | 0.1721 |
Rwork | 0.169 |
R-free | 0.22520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bq8 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.785 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
Rmerge | 0.075 | 0.042 | 0.363 |
Rmeas | 0.079 | 0.044 | 0.387 |
Rpim | 0.023 | 0.013 | 0.131 |
Total number of observations | 276450 | ||
Number of reflections | 24449 | 1343 | 1203 |
<I/σ(I)> | 8.5 | ||
Completeness [%] | 94.1 | 92.4 | 94.3 |
Redundancy | 11.3 | 11.5 | 7.8 |
CC(1/2) | 0.999 | 0.942 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.2 | 277 | 32% (w/v) PEG 3350, 0.2M ammonium tartrate, 0.1M CHES |