6MXR
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M]
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 | 2017-01-07 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.090, 95.470, 109.730 |
Unit cell angles | 90.00, 103.01, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.040 |
R-factor | 0.1686 |
Rwork | 0.167 |
R-free | 0.20020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bdy |
RMSD bond length | 0.019 |
RMSD bond angle | 1.889 |
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 | 47.730 | 2.080 |
High resolution limit [Å] | 2.040 | 10.600 | 2.040 |
Rmerge | 0.087 | 0.044 | 0.571 |
Rmeas | 0.104 | 0.052 | 0.678 |
Rpim | 0.055 | 0.027 | 0.363 |
Number of reflections | 83010 | 601 | 4489 |
<I/σ(I)> | 8.3 | ||
Completeness [%] | 99.8 | 97.2 | 99.5 |
Redundancy | 3.4 | 3.3 | 3.4 |
CC(1/2) | 0.995 | 0.997 | 0.750 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5.6 | 295 | 0.1 M tris-sodium citrate, pH 5.6, 11% PEG4000, 8% isopropanol |