3AUD
Simplified BPTI variant with poly Asn amino acid tag (C5N) at the C-terminus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2008-02-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 61.485, 61.485, 171.910 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.268 - 1.943 |
| R-factor | 0.15773 |
| Rwork | 0.156 |
| R-free | 0.19381 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pti |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.314 |
| 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] | 45.268 | 2.020 |
| High resolution limit [Å] | 1.943 | 1.943 |
| Rmerge | 0.368 | 0.368 |
| Number of reflections | 14990 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 20.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 4.0M Sodium Formate, 15mM TrisHCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
