5DC5
Crystal structure of D176N HDAC8 in complex with M344
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 | 2011-12-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.487, 83.025, 94.402 |
| Unit cell angles | 90.00, 97.14, 90.00 |
Refinement procedure
| Resolution | 43.500 - 1.940 |
| R-factor | 0.1833 |
| Rwork | 0.182 |
| R-free | 0.21030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ewf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.993 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1833) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.500 | 2.010 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.098 | 0.574 |
| Number of reflections | 58414 | |
| <I/σ(I)> | 10.3 | 2.2 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 294 | 100 mM imidazole (pH 7.0), 15% (w/v) PEG 1500, and 4 mM TCEP |
