1PKX
Crystal Structure of human ATIC in complex with XMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.520, 93.560, 179.880 |
| Unit cell angles | 90.00, 91.09, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| Rwork | 0.211 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g8m |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.390 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.053 * | 0.394 * |
| Number of reflections | 177135 | 9598 * |
| <I/σ(I)> | 15 | 2.1 |
| Completeness [%] | 87.7 | 47.8 |
| Redundancy | 2.1 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 22 * | Polyethylene glycol 3000, pH 7.5-8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | PEG3000 | 15-17 (%) | |
| 3 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH7.5-8.0 |
| 4 | 1 | reservoir | MPD | 5 (%) | |
| 5 | 1 | reservoir | dithiothreitol | 6 (mM) | |
| 6 | 1 | reservoir | 0.2 (M) |
