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 |
