3AUG
A simplified BPTI variant with poly Pro amino acid tag (C5P) at the C-terminus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2010-06-11 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 64.313, 48.505, 36.815 |
| Unit cell angles | 90.00, 108.74, 90.00 |
Refinement procedure
| Resolution | 19.976 - 1.398 |
| R-factor | 0.16793 |
| Rwork | 0.167 |
| R-free | 0.18720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pti |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.224 |
| 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] | 19.976 | 1.450 |
| High resolution limit [Å] | 1.398 | 1.398 |
| Rmerge | 0.168 | |
| Number of reflections | 21285 | |
| Completeness [%] | 98.3 | 98.3 |
| Redundancy | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 25% PEG4000, 0.2M Lithium sulfate, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
