5ICN
HDAC1:MTA1 in complex with inositol-6-phosphate and a novel peptide inhibitor based on histone H4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96862 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 107.815, 107.815, 134.161 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 93.400 - 3.300 |
| R-factor | 0.25694 |
| Rwork | 0.255 |
| R-free | 0.29949 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bkx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.228 |
| Data reduction software | iMOSFLM (7.1.1) |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 93.400 | 3.560 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.380 | 0.860 |
| Number of reflections | 13008 | |
| <I/σ(I)> | 2.5 | 1.3 |
| Completeness [%] | 93.1 | 92 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M NA HEPES PH7.5, 2M AMMONIUM SULPHATE, 5% PEG400 |
