5EF8
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with panobinostat
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2015-09-16 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.00003 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 65.168, 140.396, 91.856 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.708 - 2.600 |
R-factor | 0.1909 |
Rwork | 0.189 |
R-free | 0.23430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5eek |
RMSD bond length | 0.002 |
RMSD bond angle | 0.713 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.3_1479) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.790 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.217 | 0.699 |
Number of reflections | 26544 | |
<I/σ(I)> | 8.3 | 1.6 |
Completeness [%] | 99.4 | 95.6 |
Redundancy | 6.9 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M MES, pH 6.5, 12% PEG20000 |