3AUI
A simplified BPTI variant with poly Glu amino acid tag (C3E) 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 | 2010-10-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 64.849, 48.858, 36.790 |
| Unit cell angles | 90.00, 109.05, 90.00 |
Refinement procedure
| Resolution | 38.208 - 1.851 |
| R-factor | 0.22706 |
| Rwork | 0.223 |
| R-free | 0.31202 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pti |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.757 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.208 | 1.900 |
| High resolution limit [Å] | 1.851 | 1.851 |
| Rmerge | 0.230 | |
| Number of reflections | 9351 | |
| Completeness [%] | 92.6 | 92.6 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 293 | 25% PEG4000, 0.2M Lithium sulfate, 0.1M sodium acetate, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
