6PD1
PntC-AEPT: fusion protein of phosphonate-specific cytidylyltransferase and 2-aminoethylphosphonate (AEP) transaminase from Treponema denticola
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-03-13 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.053, 129.012, 135.797 |
Unit cell angles | 90.00, 92.99, 90.00 |
Refinement procedure
Resolution | 38.000 - 2.720 |
R-factor | 0.2006 |
Rwork | 0.199 |
R-free | 0.23290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jyk 1vjo |
RMSD bond length | 0.005 |
RMSD bond angle | 0.948 |
Data reduction software | xia2 |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.000 | 2.770 |
High resolution limit [Å] | 2.720 | 2.720 |
Number of reflections | 82344 | 4114 |
<I/σ(I)> | 13 | |
Completeness [%] | 99.8 | |
Redundancy | 4.2 | |
CC(1/2) | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.01 M nickel II chloride hexahydrate, 0.1 M Tris-HCl, pH 8.5, 1.0 M lithium sulfate monohydrate |