6PLJ
A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528)
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 | 2017-09-21 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95370 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.656, 61.418, 72.227 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.790 - 1.590 |
R-factor | 0.1727 |
Rwork | 0.171 |
R-free | 0.20240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hv9 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.377 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.21) |
Phasing software | Auto-Rickshaw |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.790 | 46.790 | 1.620 |
High resolution limit [Å] | 1.590 | 8.720 | 1.590 |
Rmerge | 0.090 | 0.041 | 0.870 |
Total number of observations | 446457 | 2635 | 19664 |
Number of reflections | 30884 | 236 | 1458 |
<I/σ(I)> | 21.7 | 53.9 | 3.6 |
Completeness [%] | 99.8 | 99.9 | 96.1 |
Redundancy | 14.5 | 11.2 | 13.5 |
CC(1/2) | 0.999 | 0.999 | 0.908 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 2.0 M Ammonium sulfate, 0.1 M Bis-Tris, 0.1 M Potassium sodium tartrate tetrahydrate |