4IPI
Crystal Structure of R314A N-acetyl Neuraminic Acid Synthase from Neiserria meningitidis with Malate bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95369 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.000, 75.800, 77.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.160 - 1.750 |
| R-factor | 0.16491 |
| Rwork | 0.161 |
| R-free | 0.19720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xuz |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.110 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.160 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.106 | 0.508 |
| Number of reflections | 35169 | |
| <I/σ(I)> | 21.7 | 5.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.9 | 12.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298.15 | 1.7 M malic acid, 10 mM magnesium chloride, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.15K |
