5LU4
C4-type pyruvate phosphate dikinase: conformational intermediate of central domain in the swiveling mechanism
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-24 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9686 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.159, 126.515, 218.998 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 109.790 - 2.900 |
R-factor | 0.2492 |
Rwork | 0.247 |
R-free | 0.28640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jvl |
RMSD bond length | 0.017 |
RMSD bond angle | 1.528 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER (2.6.1) |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 219.000 | 219.000 | 3.000 |
High resolution limit [Å] | 2.900 | 11.230 | 2.900 |
Rmerge | 0.047 | 0.021 | 0.499 |
Number of reflections | 46486 | ||
<I/σ(I)> | 20.1 | ||
Completeness [%] | 99.8 | 98.6 | 99.7 |
Redundancy | 4.9 | 3.7 | 5.2 |
CC(1/2) | 0.999 | 0.998 | 0.871 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 285.15 | 0.1 M MES (pH 6.5), 0.3 M MgCl2, 10% (w/v) PEG 4000 |