3K52
Crystal Structure of Isopentenyl Phosphate Kinase from M. jannaschii in complex with IP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 77.860, 100.800, 87.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.650 - 2.700 |
R-factor | 0.227 |
Rwork | 0.224 |
R-free | 0.28600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.710 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.074 | 0.526 |
Number of reflections | 19309 | 1818 |
<I/σ(I)> | 16.53 | 2.9 |
Completeness [%] | 99.1 | 91.8 |
Redundancy | 5.88 | 5.81 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | crystals were grown in 1.6M ammonium sulfate, transferred to 1.6M ammonium sulfate, 2mM IP, vapor diffusion, hanging drop, temperature 298K, VAPOR DIFFUSION, HANGING DROP |