5CKW
Crystal structure of LegK4_AMPPNP Kinase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 173 |
Detector technology | CCD |
Collection date | 2013-10-03 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.87260 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.684, 76.871, 86.441 |
Unit cell angles | 90.00, 98.19, 90.00 |
Refinement procedure
Resolution | 40.347 - 2.490 |
R-factor | 0.2066 |
Rwork | 0.204 |
R-free | 0.25770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5clr |
RMSD bond length | 0.009 |
RMSD bond angle | 1.349 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.579 |
High resolution limit [Å] | 2.490 | 2.490 |
Rmerge | 0.115 | |
Number of reflections | 37547 | |
<I/σ(I)> | 11.14 | 1.7 |
Completeness [%] | 99.4 | 95.4 |
Redundancy | 3.8 | 3.6 |
CC(1/2) | 0.600 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 293 | 10% (w/v) polyethylene glycol (PEG) 20000, 20% (w/v) PEG 550 mono-methyl ether, 30 mM MgCl2, 30 mM CaCl2 and 100 mM Tris/Bicine pH 8.3. |