3MZ6
Crystal structure of D101L Fe2+ 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 |
| Collection date | 2009-04-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0720 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 91.616, 87.561, 52.488 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.20225 |
| Rwork | 0.200 |
| R-free | 0.24733 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.419 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.064 | 0.254 |
| Number of reflections | 28881 | |
| <I/σ(I)> | 28.1 | 5.2 |
| Completeness [%] | 98.7 | 90.5 |
| Redundancy | 6.6 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 298 | Drop composition: 25 mM Tris, 2.5% glycerol, 75 mM KCl, 10-18% PEG 35K, 50 mM MES, 1 mM tri(2-carboxyethyl)phosphine (TCEP), 0.03 mM gly-gly-gly, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
