6XP4
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293
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 | 2018-04-18 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.430, 101.640, 114.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.749 - 2.000 |
R-factor | 0.1317 |
Rwork | 0.129 |
R-free | 0.18790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kpc |
Data reduction software | iMOSFLM (7.0.072) |
Data scaling software | Aimless (0.6.3) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.750 | 49.750 | 2.040 |
High resolution limit [Å] | 2.000 | 9.800 | 2.000 |
Rmerge | 0.090 | 0.030 | 0.347 |
Rmeas | 0.094 | 0.032 | 0.367 |
Rpim | 0.027 | 0.009 | 0.116 |
Total number of observations | 768998 | 8494 | 35452 |
Number of reflections | 68713 | 734 | 3884 |
<I/σ(I)> | 21.1 | 41.6 | 6.6 |
Completeness [%] | 93.1 | 99.4 | 86.6 |
Redundancy | 11.2 | 11.6 | 9.1 |
CC(1/2) | 0.998 | 0.999 | 0.951 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289.15 | 21% PEG 3350, 0.45 M sodium malonate |