4IME
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164A Mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97946 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 90.140, 147.710, 111.980 |
Unit cell angles | 90.00, 98.51, 90.00 |
Refinement procedure
Resolution | 39.260 - 1.750 |
R-factor | 0.1771 |
Rwork | 0.175 |
R-free | 0.20830 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.671 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.800 | |
High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
Rmerge | 0.073 | 0.028 | 0.459 |
Number of reflections | 287971 | 3285 | 20895 |
<I/σ(I)> | 13.56 | 35.56 | 3 |
Completeness [%] | 99.0 | 97.6 | 97.4 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 25% isopropanol, 0.1 M phosphate-citrate, pH 4.5, 1% PEG200, VAPOR DIFFUSION, HANGING DROP, temperature 298K |