8TEF
PorX primitive monoclinic crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9823 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 133.520, 57.517, 149.141 |
Unit cell angles | 90.00, 98.39, 90.00 |
Refinement procedure
Resolution | 45.400 - 2.850 |
R-factor | 0.17896 |
Rwork | 0.177 |
R-free | 0.22159 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.238 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.000 | 46.000 | 2.900 |
High resolution limit [Å] | 2.850 | 7.720 | 2.850 |
Rmerge | 0.103 | 0.044 | 0.325 |
Rmeas | 0.119 | 0.052 | 0.379 |
Rpim | 0.058 | 0.026 | 0.191 |
Total number of observations | 210610 | ||
Number of reflections | 53000 | 2821 | 2594 |
<I/σ(I)> | 7.7 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 4 | 3.7 | 3.8 |
CC(1/2) | 0.984 | 0.995 | 0.891 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.1 | 293 | 0.2 M lithium sulfate, 0.1 M tris pH 8.1 and 35% polyethylene glycol 400 |