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 |