3K56
Crystal Structure of Isopentenyl Phosphate Kinase from M. jannaschii in complex with IPP beta-S
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 | 77.680, 100.240, 87.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.110 - 2.340 |
R-factor | 0.222 |
Rwork | 0.220 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k4o |
RMSD bond length | 0.020 |
RMSD bond angle | 1.985 |
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 | 2.440 |
High resolution limit [Å] | 2.340 | 2.340 |
Rmerge | 0.070 | 0.583 |
Number of reflections | 29290 | 3160 |
<I/σ(I)> | 14.65 | 3 |
Completeness [%] | 99.0 | 91.7 |
Redundancy | 7.01 | 6.76 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.6M ammonium sulfate, 5mM ATP gamma-S, 1mM IP, 2mM magnesium chloride., VAPOR DIFFUSION, HANGING DROP, temperature 298K |