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 |