6NFX
MBTD1 MBT repeats
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 | 2016-12-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97891 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 68.607, 124.724, 70.057 |
Unit cell angles | 90.00, 92.88, 90.00 |
Refinement procedure
Resolution | 44.600 - 1.950 |
R-factor | 0.1872 |
Rwork | 0.185 |
R-free | 0.22130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 3feo |
RMSD bond length | 0.011 |
RMSD bond angle | 1.656 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.1) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.600 | 46.600 | 2.000 |
High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
Rmerge | 0.080 | 0.026 | 1.242 |
Rmeas | 0.094 | 0.031 | 1.475 |
Rpim | 0.050 | 0.017 | 0.786 |
Total number of observations | 145714 | 1472 | 10136 |
Number of reflections | 42419 | ||
<I/σ(I)> | 10.7 | 40.6 | 1 |
Completeness [%] | 99.1 | 97.5 | 98.8 |
Redundancy | 3.4 | 3.3 | 3.4 |
CC(1/2) | 0.998 | 0.999 | 0.331 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 297 | 10% PEG-6000, 0.1 M sodium citrate |