4QA2
Crystal structure of I243N HDAC8 in complex with SAHA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.017, 84.057, 94.381 |
Unit cell angles | 90.00, 98.60, 90.00 |
Refinement procedure
Resolution | 46.660 - 2.377 |
R-factor | 0.1734 |
Rwork | 0.170 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ewf |
RMSD bond length | 0.002 |
RMSD bond angle | 0.657 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1370)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.450 |
High resolution limit [Å] | 2.370 | 2.370 |
Rmerge | 0.108 | 0.308 |
Number of reflections | 33016 | |
<I/σ(I)> | 12.2 | 4.9 |
Completeness [%] | 99.8 | 99.4 |
Redundancy | 4.5 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 0.1 M (Bis(2-hydroxyethyl)-amino-tris(hydroxymethyl)-methane) (BISTRIS, pH = 6.5), 4 mM tris(2-carboxyethyl)phosphine (TCEP), 18% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 294K |