3O8J
Crystal structure of 2-methylcitrate synthase (PrpC) from Salmonella typhimurium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-07-06 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 92.068, 118.159, 120.659 |
Unit cell angles | 60.84, 67.77, 81.92 |
Refinement procedure
Resolution | 50.000 - 2.410 |
R-factor | 0.22094 |
Rwork | 0.218 |
R-free | 0.28247 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | N- (1-12) and C- terminal (361-378) deletion construct of the AbGltA (PDB: 1A59) dimer |
RMSD bond length | 0.008 |
RMSD bond angle | 1.147 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.092 | 0.194 |
Number of reflections | 160794 | |
<I/σ(I)> | 22.17 | 4.18 |
Completeness [%] | 90.2 | 72.5 |
Redundancy | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 297 | 0.1M Bicine, 18% PEG 4000, 1.4M ammonium sulfate, 0.2M trisodium citrate , pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 297K |