3X06
Crystal structure of PIP4KIIBETA T201M complex with GMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2013-01-20 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 108.825, 182.878, 106.657 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.410 - 2.650 |
R-factor | 0.214 |
Rwork | 0.212 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wzz |
RMSD bond length | 0.011 |
RMSD bond angle | 1.112 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 91.440 | 2.790 |
High resolution limit [Å] | 2.650 | 2.650 |
Number of reflections | 30962 | |
Completeness [%] | 99.0 | 99.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 100MM NA-CITRATE, 10MM MG-ACETATE, 100MM LI-ACETATE, 8-14%(V/V) PEG4000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |