3STF
Crystal structure of a mutant (S211A) 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] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2009-12-16 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.191, 85.828, 163.298 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.870 - 1.900 |
R-factor | 0.2203 |
Rwork | 0.218 |
R-free | 0.25840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qkf |
RMSD bond length | 0.012 |
RMSD bond angle | 1.215 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.870 | 36.870 | 1.960 |
High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
Rmerge | 0.037 | 0.376 | |
Number of reflections | 86379 | ||
<I/σ(I)> | 26.7 | 2.7 | |
Completeness [%] | 93.7 | 85.5 | 94.3 |
Redundancy | 3.41 | 3.46 | 3.25 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 297 | 20 mg/mL protein (in 10 mM BTP pH 7.5) mixed 1:1 with reservoir liquor containing 100 mM NaOAc (pH 4.6) and 0.6-3.0 M NaCl. Immediately prior to data collection, crystals were harvested and soaked briefly in cryoprotectant solution, comprising 20% glycerol and the reservoir solution, Vapor diffusion, hanging drop, temperature 297K |