3LKK
Crystal structure of the isopentenyl phosphate kinase substrate complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-09-15 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 124.307, 44.279, 91.764 |
Unit cell angles | 90.00, 109.45, 90.00 |
Refinement procedure
Resolution | 29.303 - 2.001 |
R-factor | 0.1786 |
Rwork | 0.176 |
R-free | 0.23130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | T.acidophilum isopentenyl phosphate kinase solved by single-wavelength anomalous diffraction (SAD) |
RMSD bond length | 0.019 |
RMSD bond angle | 1.783 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (1.3.3) |
Refinement software | PHENIX (1.6.1_357) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.075 | 0.475 |
Number of reflections | 31502 | |
<I/σ(I)> | 11.2 | |
Completeness [%] | 98.0 | 95.2 |
Redundancy | 3.7 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 274 | 0.1 M MIB buffer (2:3:3 molar ratio of sodium malonate, imidazole, boric acid), pH 7.0, 25% PEG1500, VAPOR DIFFUSION, SITTING DROP, temperature 274K |