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 |
