4JTE
Crystal structure of F114A mutant 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 | 2007-03-05 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.355, 85.473, 163.057 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.950 - 1.900 |
R-factor | 0.2305 |
Rwork | 0.229 |
R-free | 0.26690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qkf |
RMSD bond length | 0.017 |
RMSD bond angle | 1.757 |
Data reduction software | d*TREK (9.4SSI) |
Data scaling software | d*TREK (9.4SSI) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.950 | 39.950 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Rmerge | 0.065 | 0.030 | 0.601 |
Total number of observations | 45354 | 33828 | |
Number of reflections | 88194 | ||
<I/σ(I)> | 8.8 | 30.6 | 1.2 |
Completeness [%] | 97.8 | 99.8 | 87 |
Redundancy | 4.7 | 4.73 | 4.37 |
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 |