6HM1
Structural and thermodynamic signatures of ligand binding to an enigmatic chitinase-D from Serratia proteamaculans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-22 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97319 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.777, 62.855, 103.183 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.690 - 1.540 |
R-factor | 0.1706 |
Rwork | 0.169 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nzc |
RMSD bond length | 0.005 |
RMSD bond angle | 0.829 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.690 | 1.600 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.054 | 0.603 |
Number of reflections | 57471 | 5508 |
<I/σ(I)> | 12.5 | 1.8 |
Completeness [%] | 96.9 | 96.2 |
Redundancy | 3.3 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2 M magnesium chloride, 0.1 M Tris pH 8.5 and 20% (w/v) PEG 8000 |