3FYP
Crystal structure of the quadruple mutant (N23C/C246S/D247E/P249A) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2007-01-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.781, 85.679, 163.828 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.960 - 1.850 |
R-factor | 0.207 |
Rwork | 0.205 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qkf |
RMSD bond length | 0.013 |
RMSD bond angle | 1.257 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.960 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.046 | 0.343 |
Total number of observations | 47031 | |
Number of reflections | 98477 | |
<I/σ(I)> | 14.1 | 3.4 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 4.88 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 297 | 27.7 mg/mL protein mixed 1:1 with reservoir liquor containing 100 mM NaOAc (pH 5.0), 2 mM PEP, 850 microM MnSO4 and 2.0 M NaCl. Immediately prior to data collection, crystals were harvested and soaked briefly in cryoprotectant solution, comprising 20% glycerol and the resevoir solution, vapor diffusion, hanging drop, temperature 297K, pH 5.4 |