5HWA
Crystal Structure of MH-K1 chitosanase in substrate-bound form
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] | 100 |
Detector technology | CCD |
Collection date | 2007-04-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.750, 79.030, 94.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.690 - 1.350 |
R-factor | 0.1383 |
Rwork | 0.137 |
R-free | 0.17000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.612 |
Data scaling software | SCALA (3.2.25) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.693 | 31.587 | 1.420 |
High resolution limit [Å] | 1.350 | 4.270 | 1.350 |
Rmerge | 0.040 | 1.047 | |
Rmeas | 0.092 | 0.043 | 1.156 |
Rpim | 0.035 | 0.017 | 0.481 |
Total number of observations | 452530 | 15600 | 51225 |
Number of reflections | 67791 | ||
<I/σ(I)> | 12.5 | 36.2 | 1.7 |
Completeness [%] | 99.5 | 99.5 | 97.1 |
Redundancy | 6.7 | 6.6 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 298 | 0.1 M sodium cacodylate, 0.2 M zinc acetate, 7-26%(w/v) PEG 8000 |