2HXM
Complex of UNG2 and a small Molecule synthetic Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.209, 69.030, 70.318 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.270 - 1.300 |
| R-factor | 0.18342 |
| Rwork | 0.182 |
| R-free | 0.20641 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ak7 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.261 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.300 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.057 | 0.491 |
| Number of reflections | 51576 | |
| <I/σ(I)> | 27.6 | 2.65 |
| Completeness [%] | 98.0 | 92.4 |
| Redundancy | 4.9 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 44.2 mg/ml protein sample, 16.8 mM inhibitor, 5% DMSO, 0.22 M potassium Thiocyanate, 20% w/v PEG 3350, 100mM Tris HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
