3STE
Crystal structure of a mutant (Q202A) 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 | 2009-12-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.002, 85.709, 163.406 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.600 - 2.050 |
R-factor | 0.207 |
Rwork | 0.205 |
R-free | 0.24740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qkf |
RMSD bond length | 0.010 |
RMSD bond angle | 1.102 |
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] | 30.600 | 30.560 | 2.120 |
High resolution limit [Å] | 2.050 | 4.410 | 2.050 |
Rmerge | 0.037 | 0.383 | |
Number of reflections | 72315 | ||
<I/σ(I)> | 23.2 | 2.7 | |
Completeness [%] | 99.3 | 96.5 | 99.9 |
Redundancy | 4.22 | 4.04 | 4.17 |
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 |