3MZ7
Crystal structure of D101L Co2+ HDAC8 complexed with M344
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0720 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 91.799, 88.431, 52.503 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.150 - 1.900 |
| R-factor | 0.22205 |
| Rwork | 0.220 |
| R-free | 0.25605 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ew8 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.327 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.049 | 0.492 |
| Number of reflections | 33586 | 2900 |
| <I/σ(I)> | 38 | 2.4 |
| Completeness [%] | 97.5 | 85.4 |
| Redundancy | 9.1 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 298 | Drop composition: 25 mM Tris, 2.5% glycerol, 75 mM KCl, 1-5% PEG MME 550, 50 mM MES, 1 mM tri(2-carboxyethyl)phosphine (TCEP), 0.03 mM gly-gly-gly, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
