6ZL1
Crystal structure of human serum albumin in complex with the MCL-1 neutralizing Alphabody CMPX-383B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-24 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9763 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 60.688, 231.346, 240.191 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 115.670 - 3.272 |
R-factor | 0.2415 |
Rwork | 0.239 |
R-free | 0.28090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mk8 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.020 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 115.673 | 3.389 |
High resolution limit [Å] | 3.272 | 3.272 |
Number of reflections | 24556 | 1168 |
<I/σ(I)> | 8.6 | 0.52 |
Completeness [%] | 92.1 | 44.11 |
Redundancy | 4.8 | 2.7 |
CC(1/2) | 0.993 | 0.182 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 310.15 | 18% (w/v) PEG 3350, 0.1 M BIS-Tris pH 6.8, 0.2 M ammonium phosphate |