3AUE
A simplified BPTI variant with poly His amino acid tag (C5H) 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 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.011, 120.328, 53.322 |
| Unit cell angles | 90.00, 106.55, 90.00 |
Refinement procedure
| Resolution | 38.950 - 2.280 |
| R-factor | 0.16867 |
| Rwork | 0.163 |
| R-free | 0.27360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pti |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.184 |
| 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] | 38.954 | 2.380 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.225 | |
| Number of reflections | 21392 | |
| Completeness [%] | 77.7 | 77.7 |
| Redundancy | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 30% PEG4000, 0.2M Lithium sulfate, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
