6MY4
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M,LC-S30bR]
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-01-13 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.869, 65.860, 93.130 |
Unit cell angles | 90.00, 99.93, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.690 |
R-factor | 0.1909 |
Rwork | 0.189 |
R-free | 0.22990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6mxs |
RMSD bond length | 0.020 |
RMSD bond angle | 1.925 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.5.21) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 46.800 | 1.720 |
High resolution limit [Å] | 1.690 | 9.260 | 1.690 |
Rmerge | 0.067 | 0.042 | 0.742 |
Rmeas | 0.078 | 0.049 | 0.863 |
Rpim | 0.040 | 0.026 | 0.440 |
Number of reflections | 108642 | 700 | 5344 |
<I/σ(I)> | 10.7 | ||
Completeness [%] | 99.4 | 97.4 | 98.8 |
Redundancy | 3.8 | 3.6 | 3.8 |
CC(1/2) | 0.998 | 0.997 | 0.714 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8 | 295 | 0.05 M imidazole, pH 8.0, 18% PEG6000 |