4PTM
Crystal Structure of Chitinase D from Serratia proteamaculans in complex with N-acetyl glucosamine, a hydrolyzed product of hexasaccharide at 1.7 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2013-11-28 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 59.418, 74.064, 88.745 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.420 - 1.700 |
R-factor | 0.16841 |
Rwork | 0.167 |
R-free | 0.19270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lgx |
RMSD bond length | 0.020 |
RMSD bond angle | 1.928 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.420 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 43061 | |
<I/σ(I)> | 5.5 | 2.1 |
Completeness [%] | 100.0 | 99.2 |
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 |