6MY5
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,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 | 81.599, 65.530, 92.560 |
Unit cell angles | 90.00, 100.73, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.730 |
R-factor | 0.1883 |
Rwork | 0.186 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6mxs |
RMSD bond length | 0.019 |
RMSD bond angle | 1.863 |
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 | 46.710 | 1.760 |
High resolution limit [Å] | 1.730 | 9.480 | 1.730 |
Rmerge | 0.093 | 0.063 | 0.589 |
Rmeas | 0.107 | 0.075 | 0.678 |
Rpim | 0.052 | 0.039 | 0.333 |
Number of reflections | 100319 | 630 | 4966 |
<I/σ(I)> | 7.7 | ||
Completeness [%] | 100.0 | 96.4 | 100 |
Redundancy | 4.2 | 3.9 | 4.1 |
CC(1/2) | 0.995 | 0.992 | 0.769 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8 | 295 | 0.04 M imidazole, pH 8.0, 21% PEG6000 |