4MNK
Crystal Structure of GH18 Chitinase from Cycas revoluta in complex with (GlcNAc)3
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 | 2012-05-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.822, 64.036, 85.986 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.290 |
R-factor | 0.18303 |
Rwork | 0.182 |
R-free | 0.19894 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3alf |
RMSD bond length | 0.006 |
RMSD bond angle | 1.046 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.360 | 1.310 |
High resolution limit [Å] | 1.290 | 1.290 |
Rmerge | 0.051 | 0.220 |
Number of reflections | 80890 | |
<I/σ(I)> | 62.4 | 10.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 9.5 | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 60% v/v Tacsimate, 0.1M BIS-TRIS propane, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |