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 |