6XPU
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to IDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-07-05 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.954 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 52.900, 70.307, 119.133 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.270 - 1.900 |
R-factor | 0.1801 |
Rwork | 0.178 |
R-free | 0.22730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6xp7 |
Data reduction software | XDS (20161205) |
Data scaling software | Aimless (0.7.1) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.271 | 42.270 | 1.940 |
High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
Rmerge | 0.091 | 0.026 | 0.575 |
Rmeas | 0.095 | 0.027 | 0.597 |
Rpim | 0.025 | 0.008 | 0.158 |
Total number of observations | 4539 | 31363 | |
Number of reflections | 35832 | 390 | 2246 |
<I/σ(I)> | 20.7 | 50.6 | 5 |
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 14 | 11.6 | 14 |
CC(1/2) | 0.999 | 0.999 | 0.948 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 19.5% PEG 3350, 0.20 M NaCl, 0.1 M HEPES pH 7.5 |