7W1E
Crystal structure of Klebsiella pneumoniae K1 capsule-specific polysaccharide lyase in complex with products
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-20 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 90.626, 100.991, 125.380 |
Unit cell angles | 80.40, 70.48, 83.99 |
Refinement procedure
Resolution | 30.000 - 1.460 |
R-factor | 0.116 |
Rwork | 0.114 |
R-free | 0.14800 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.514 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.510 |
High resolution limit [Å] | 1.460 | 1.460 |
Rmerge | 0.032 | 0.243 |
Number of reflections | 673887 | 66287 |
<I/σ(I)> | 19.84 | 2.14 |
Completeness [%] | 94.4 | 92.9 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 15% (W/V) PEG 4000, 0.2 M IMIDAZOLE MALATE, PH 6.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K |