3ZNS
HDAC7 bound with TFMO inhibitor tmp942
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-03 |
| Detector | MARRESEARCH MX-300 |
| Spacegroup name | P 32 |
| Unit cell lengths | 81.570, 81.570, 150.101 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 70.710 - 2.450 |
| R-factor | 0.18814 |
| Rwork | 0.186 |
| R-free | 0.22496 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.964 |
| Data reduction software | HKL |
| Data scaling software | HKL |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.060 | 0.500 |
| Number of reflections | 38814 | |
| <I/σ(I)> | 30.3 | 3.6 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 5.9 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 10% PEG 3350, 3% ISOPROPANAL, HEPES PH7.5, pH 7.4 |
