6XPW
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to CDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 90.694, 101.800, 113.898 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.471 - 1.900 |
R-factor | 0.1331 |
Rwork | 0.131 |
R-free | 0.18020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6xp7 |
Data reduction software | XDS (20161205) |
Data scaling software | Aimless (0.7.2) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.471 | 46.470 | 1.940 |
High resolution limit [Å] | 1.900 | 9.870 | 1.900 |
Rmerge | 0.148 | 0.045 | 0.649 |
Rmeas | 0.154 | 0.047 | 0.675 |
Rpim | 0.042 | 0.013 | 0.183 |
Total number of observations | 8091 | 60290 | |
Number of reflections | 83554 | 696 | 4526 |
<I/σ(I)> | 13.5 | 28 | 4.5 |
Completeness [%] | 99.9 | 99.3 | 99.6 |
Redundancy | 13.2 | 11.6 | 13.3 |
CC(1/2) | 0.998 | 0.999 | 0.931 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 20% PEG 3350, 0.3 M Ammonium sulphate |