3AUB
A simplified BPTI variant stabilized by the A14G and A38V substitutions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2006-12-22 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 53.333, 39.058, 49.231 |
| Unit cell angles | 90.00, 101.59, 90.00 |
Refinement procedure
| Resolution | 48.220 - 1.000 |
| R-factor | 0.16659 |
| Rwork | 0.166 |
| R-free | 0.17931 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pti |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.131 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.224 | 1.040 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.294 | 0.294 |
| Number of reflections | 53613 | |
| <I/σ(I)> | 0.243 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 15% PEG4000 ,15% Iisopropanol, 0.1M Sodium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
