3KCH
Baranase crosslinked by glutaraldehyde
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LURE BEAMLINE DW32 |
Synchrotron site | LURE |
Beamline | DW32 |
Temperature [K] | 277 |
Detector technology | IMAGE PLATE |
Collection date | 2002-06-02 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.964 |
Spacegroup name | P 32 |
Unit cell lengths | 58.970, 58.970, 82.140 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.940 |
R-factor | 0.1455 |
Rwork | 0.145 |
R-free | 0.18510 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1a2p |
RMSD bond length | 0.006 |
RMSD bond angle | 0.015 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.100 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.043 | 0.171 |
Number of reflections | 22894 | |
<I/σ(I)> | 18.2 | 4.6 |
Completeness [%] | 97.0 | 93.7 |
Redundancy | 4.5 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | ammonium sulfate, PEG 1000, HEPES, glutaraldehyde, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |