5JI5
Crystal Structure of a Histone Deacetylase superfamily protein from Burkholderia phymatumphymatum
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 | 2016-03-31 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 66.380, 127.870, 68.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.797 - 2.100 |
| R-factor | 0.1749 |
| Rwork | 0.169 |
| R-free | 0.23460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zz1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.963 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MR-Rosetta |
| Refinement software | PHENIX (dev_2356) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.151 | 0.520 |
| Number of reflections | 17441 | |
| <I/σ(I)> | 9.65 | 3.22 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.1 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | BuphA.10154.a.B1.PS37854 at 20.7 mg/ml was mixed 1:1 with MCSG1(f11) 0.2 M ammonium sulfate, 0.1 M HEPES:NaOH, pH = 7.5, 25% (w/v) PEG-3350, cryoprotected with 20% ethylene glycol |
