3WNY
A simplified BPTI variant with poly Lys amino acid tag (C3K) at the C-terminus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2010-04-28 |
Detector | ADSC QUANTUM 1 |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.878, 71.440, 57.245 |
Unit cell angles | 90.00, 92.09, 90.00 |
Refinement procedure
Resolution | 25.090 - 1.300 |
R-factor | 0.26139 |
Rwork | 0.260 |
R-free | 0.29349 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.141 |
Data reduction software | XFIT |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.230 | 0.230 |
Number of reflections | 104028 | |
Completeness [%] | 99.6 | 99.61 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 20-25% PEG4000, 0.1M TrisHCl, 0.2M Ammonium sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |