8U0N
Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to 2-cyclopentylideneethyl monophosphate and ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9800 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 96.820, 101.064, 64.804 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.780 - 2.500 |
R-factor | 0.2202 |
Rwork | 0.216 |
R-free | 0.26250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7lnt |
RMSD bond length | 0.002 |
RMSD bond angle | 0.623 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.780 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.089 | 0.996 |
Rpim | 0.055 | 0.641 |
Number of reflections | 22665 | 2486 |
<I/σ(I)> | 13.4 | |
Completeness [%] | 99.8 | |
Redundancy | 6.6 | |
CC(1/2) | 0.999 | 0.681 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 294 | 0.113 M magnesium formate, 10% PEG3350 |