3AUC
A simplified BPTI variant with poly SER (C5S) amino acid tag 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 |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 64.259, 48.391, 36.476 |
Unit cell angles | 90.00, 108.89, 90.00 |
Refinement procedure
Resolution | 30.400 - 1.910 |
R-factor | 0.18165 |
Rwork | 0.178 |
R-free | 0.25039 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pti |
RMSD bond length | 0.019 |
RMSD bond angle | 1.743 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.401 | 2.000 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.227 | 0.227 |
Number of reflections | 8269 | |
Completeness [%] | 96.2 | 96.2 |
Redundancy | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 30% PEG4000, 0.2M Lithium sulfate, 0.1M TrisHCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |