3AUC
A simplified BPTI variant with poly SER (C5S) amino acid tag at the c-terminus
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 | 2009-01-30 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 64.259, 48.391, 36.476 |
| Unit cell angles | 90.00, 108.89, 90.00 |
Refinement procedure
| Resolution | 30.400 - 1.910 |
| R-factor | 0.18165 |
| Rwork | 0.178 |
| R-free | 0.25039 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pti |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.743 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.401 | 2.000 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.227 | 0.227 |
| Number of reflections | 8269 | |
| Completeness [%] | 96.2 | 96.2 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 30% PEG4000, 0.2M Lithium sulfate, 0.1M TrisHCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
