4Q22
Crystal structure of Chitinase D from Serratia proteamaculans in complex with N-acetyl glucosamine at 1.93 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
Synchrotron site | RRCAT INDUS-2 |
Beamline | PX-BL21 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2013-11-28 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97947 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 59.211, 74.918, 87.049 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.210 - 1.930 |
R-factor | 0.16392 |
Rwork | 0.162 |
R-free | 0.19615 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lgx |
RMSD bond length | 0.019 |
RMSD bond angle | 1.909 |
Data reduction software | AUTOMAR |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.220 | 2.000 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.134 | |
Number of reflections | 29280 | |
<I/σ(I)> | 8.6 | 2.6 |
Completeness [%] | 100.0 | 95.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 2M SODIUM FORMATE, 0.1M SODIUM ACETATE, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |