3Q8A
Crystal structure of WT Protective Antigen (pH 5.5)
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 | 70.837, 93.845, 114.877 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.538 - 3.129 |
| R-factor | 0.2378 |
| Rwork | 0.235 |
| R-free | 0.27920 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3mhz |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.092 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 114.877 | 114.877 | 3.300 |
| High resolution limit [Å] | 3.129 | 9.890 | 3.130 |
| Rmerge | 0.043 | 0.477 | |
| Total number of observations | 3050 | 13655 | |
| Number of reflections | 14065 | ||
| <I/σ(I)> | 11.3 | 14.1 | 1.6 |
| Completeness [%] | 99.7 | 99.1 | 99.8 |
| Redundancy | 6.2 | 5.9 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | 25 %(w/v) PEG 1500, 100 mM SPG Buffer, pH 5.5, vapor diffusion, temperature 293K |
