4R5E
Crystal Structure of Family GH18 Chitinase from Cycas revoluta a Complex with Allosamidin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2014-02-19 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.842, 64.114, 85.583 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.500 |
R-factor | 0.182 |
Rwork | 0.181 |
R-free | 0.19414 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3alf |
RMSD bond length | 0.005 |
RMSD bond angle | 1.199 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.310 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.069 | 0.418 |
Number of reflections | 51423 | |
<I/σ(I)> | 52.16 | 8.6 |
Completeness [%] | 99.3 | 98.2 |
Redundancy | 9.7 | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 60% V/V TACSIMATE pH 7.0, 0.1M BIS-TRIS PROPANE pH 7.0, 0.06MM ALLOSAMIDIN, VAPOR DIFFUSION, SITTING DROP, temperature 293K |