3Q8E
Crystal structure of Protective Antigen W346F (pH 8.5)
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 | 71.372, 93.601, 117.205 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.291 - 2.098 |
| R-factor | 0.1967 |
| Rwork | 0.194 |
| R-free | 0.24770 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3mhz |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.282 |
| 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] | 117.205 | 117.205 | 2.210 |
| High resolution limit [Å] | 2.098 | 6.630 | 2.100 |
| Rmerge | 0.023 | 0.490 | |
| Total number of observations | 9370 | 42281 | |
| Number of reflections | 46703 | ||
| <I/σ(I)> | 17.7 | 24.9 | 1.5 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 6.3 | 5.7 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 25%(w/v) PEG 1500, 100mM SPG Buffer, pH 8.5, vapor diffusion, temperature 293K |
