4PKM
Crystal Structure of Bacillus thuringiensis Cry51Aa1 Protoxin at 1.65 Angstroms Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-08-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.95 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 54.703, 54.703, 209.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.480 - 1.650 |
R-factor | 0.1821 |
Rwork | 0.181 |
R-free | 0.19890 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.060 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.710 |
High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
Rmerge | 0.114 | 0.077 | 0.536 |
Total number of observations | 548719 | ||
Number of reflections | 39741 | ||
<I/σ(I)> | 7.4 | ||
Completeness [%] | 99.9 | 99.6 | 99.8 |
Redundancy | 13.8 | 11.8 | 13.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3 | 291 | ammonium sulfate, sodium acetate pH 3.0, PEG2000 |