5XWF
Crystal structure of chitinase (RmChi1) from Rhizomucor miehei (SP3221/SAD)
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] | 293.15 |
Detector technology | CCD |
Collection date | 2012-11-19 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9788 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 48.811, 48.811, 247.516 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.272 - 2.581 |
R-factor | 0.1753 |
Rwork | 0.172 |
R-free | 0.20600 |
Structure solution method | SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.390 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.272 | 42.272 | 2.650 |
High resolution limit [Å] | 2.580 | 11.550 | 2.580 |
Rmerge | 0.052 | 0.032 | 0.123 |
Rmeas | 0.056 | 0.034 | 0.140 |
Total number of observations | 139172 | ||
Number of reflections | 20596 | 229 | 1426 |
<I/σ(I)> | 25.64 | 48.28 | 8 |
Completeness [%] | 99.5 | 98.7 | 94.5 |
Redundancy | 6.757 | 7.009 | 4.222 |
CC(1/2) | 0.999 | 0.999 | 0.991 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 200 mM MgCl2, 30 % (w/v) PEG4000, 100 mM Tris-Cl pH 8.5 |