3Q8B
Crystal structure of WT Protective Antigen (pH 9.0)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-01-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.376, 93.799, 115.729 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.195 - 2.000 |
R-factor | 0.2094 |
Rwork | 0.207 |
R-free | 0.25760 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3mhz |
RMSD bond length | 0.012 |
RMSD bond angle | 1.317 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (CCP4_3.3.16) |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.110 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.087 | 0.040 | 0.690 |
Total number of observations | 12402 | 50788 | |
Number of reflections | 52880 | ||
<I/σ(I)> | 13.0138 | ||
Completeness [%] | 99.4 | 99.6 | 98.52 |
Redundancy | 6.85 | 6.69 | 6.74 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 9 | 293 | 25 %(w/v) PEG 1500, 100 mM MMT Buffer, pH 9.0, vapor diffusion, temperature 293K |