6CGP
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 45.310, 64.950, 140.499 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.077 - 2.500 |
R-factor | 0.2155 |
Rwork | 0.213 |
R-free | 0.26640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5eem |
RMSD bond length | 0.002 |
RMSD bond angle | 0.700 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.250 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.220 | |
Rpim | 0.109 | 0.782 |
Number of reflections | 14843 | 7253 |
<I/σ(I)> | 5.7 | |
Completeness [%] | 99.3 | |
Redundancy | 4.8 | |
CC(1/2) | 0.988 | 0.476 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 10 mg/mL ZCD2, MES, pH 6.0, 14% w/v PEG4000, crystals appeared within 2 days |