6AES
Crystal structure of Nucleoside diphosphate kinase from Pseudomonas aeruginosa at 3.55 A resolution.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-13 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.953 |
Spacegroup name | P 1 |
Unit cell lengths | 68.566, 70.875, 71.097 |
Unit cell angles | 99.60, 109.12, 90.25 |
Refinement procedure
Resolution | 45.980 - 3.550 |
R-factor | 0.28852 |
Rwork | 0.286 |
R-free | 0.33174 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5yol |
RMSD bond length | 0.012 |
RMSD bond angle | 1.729 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.980 | 3.640 |
High resolution limit [Å] | 3.550 | 3.550 |
Number of reflections | 14065 | 1005 |
<I/σ(I)> | 3.8 | 1.5 |
Completeness [%] | 97.5 | 98.8 |
Redundancy | 18.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1M Sodium Malonate, 20% PEG 3350, PH-8.0. |