6WHZ
Histone deacetylases complex with peptide macrocycles
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] | 293 |
Detector technology | CCD |
Collection date | 2018-02-15 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.97648 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.477, 94.802, 138.813 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.900 - 2.900 |
R-factor | 0.2295 |
Rwork | 0.227 |
R-free | 0.28130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lxz |
RMSD bond length | 0.002 |
RMSD bond angle | 0.431 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.17rc1_3605) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.900 | 3.080 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.290 | 0.203 |
Number of reflections | 27684 | 4391 |
<I/σ(I)> | 7.6 | 1.1 |
Completeness [%] | 100.0 | |
Redundancy | 7.3 | |
CC(1/2) | 0.991 | 0.548 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 40% (v/v) PEG600 and 100mM CHES pH 9.5 |