5UY1
X-ray crystal structure of apo Halotag
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.077, 94.628, 99.993 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.350 |
R-factor | 0.1885 |
Rwork | 0.188 |
R-free | 0.19590 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.997 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.370 |
High resolution limit [Å] | 1.350 | 3.660 | 1.350 |
Rmerge | 0.069 | 0.026 | 0.793 |
Rmeas | 0.074 | 0.028 | 0.859 |
Rpim | 0.028 | 0.011 | 0.325 |
Total number of observations | 1023559 | ||
Number of reflections | 144106 | ||
<I/σ(I)> | 8 | ||
Completeness [%] | 99.9 | 99.7 | 99.5 |
Redundancy | 7.1 | 7.1 | 6.7 |
CC(1/2) | 0.999 | 0.792 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 293 | NaCl, Ammonium Sulfate |