6FJL
Structure of IbpS from Dickeya dadantii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97301 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.447, 112.313, 78.722 |
Unit cell angles | 90.00, 95.53, 90.00 |
Refinement procedure
Resolution | 47.547 - 1.700 |
R-factor | 0.17613569009 |
Rwork | 0.175 |
R-free | 0.20586 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.028 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.550 | 47.547 | 1.790 |
High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
Rmerge | 0.058 | 0.023 | 0.611 |
Rmeas | 0.069 | 0.027 | 0.728 |
Rpim | 0.036 | 0.014 | 0.392 |
Number of reflections | 146429 | 4740 | 21285 |
<I/σ(I)> | 8.6 | 22.2 | 1.2 |
Completeness [%] | 99.7 | 99.6 | 99.4 |
Redundancy | 3.4 | 3.4 | 3.3 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 24% PEG 4000 Cacodylate Na 50 mM pH 6 Magnesium Acetate 80 mM |