7ZCK
Room temperature crystal structure of PhnD from Synechococcus MITS9220 in complex with phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE VMXi |
Synchrotron site | Diamond |
Beamline | VMXi |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2020-12-02 |
Detector | DECTRIS EIGER2 X 4M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 65.027, 40.683, 106.513 |
Unit cell angles | 90.00, 92.78, 90.00 |
Refinement procedure
Resolution | 53.170 - 1.800 |
R-factor | 0.15352 |
Rwork | 0.151 |
R-free | 0.19705 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7s6g |
RMSD bond length | 0.011 |
RMSD bond angle | 1.629 |
Data reduction software | xia2.multiplex |
Data scaling software | xia2.multiplex |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.170 | 1.820 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.116 | 1.387 |
Number of reflections | 26032 | 1271 |
<I/σ(I)> | 14.4 | 1 |
Completeness [%] | 99.8 | 97.02 |
Redundancy | 8.7 | 5.5 |
CC(1/2) | 0.998 | 0.416 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M Tris pH 8.5, 25 % PEG 3350 |