4IMG
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164 mutant complexed with N-Glycolylneuraminic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2012-09-20 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.202, 149.997, 112.456 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 75.000 - 1.850 |
R-factor | 0.1804 |
Rwork | 0.178 |
R-free | 0.21630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.853 |
Data reduction software | SAINT |
Data scaling software | PROTEUM PLUS (PLUS) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.940 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.074 | 0.428 |
Number of reflections | 59552 | |
<I/σ(I)> | 18 | 2.48 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.6 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 298 | 38% PEG300, 0.01 M calcium chloride, 0.1 M sodium cacodylate, pH 6.5, 5 mM Neu5Gc, VAPOR DIFFUSION, temperature 298K |