6OTV
Crystal structure of putative isomerase EC2056
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-13 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.97927 |
Spacegroup name | P 32 |
Unit cell lengths | 77.416, 77.416, 174.266 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.902 - 2.400 |
R-factor | 0.1776 |
Rwork | 0.176 |
R-free | 0.19980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3g7k.pdb |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.034 | 0.018 | 0.657 |
Rmeas | 0.038 | 0.020 | 0.735 |
Rpim | 0.017 | 0.009 | 0.325 |
Total number of observations | 232618 | ||
Number of reflections | 45725 | 2294 | 2329 |
<I/σ(I)> | 14.4 | ||
Completeness [%] | 99.8 | 99.7 | 99.9 |
Redundancy | 5.1 | 5.2 | 5 |
CC(1/2) | 0.999 | 0.783 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | 1.26M sodium phosphate monobasic, 0.14M postassium phosphate dibasic |