1PL0
Crystal structure of human ATIC in complex with folate-based inhibitor, BW2315U89UC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 106 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.120, 92.970, 178.490 |
| Unit cell angles | 90.00, 91.19, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| Rwork | 0.213 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g8m |
| RMSD bond length | 0.008 |
| 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] | 20.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 71039 | |
| <I/σ(I)> | 8.7 | 1.5 |
| Completeness [%] | 91.3 | 92.3 |
| Redundancy | 2.7 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | polyethylene glycol 3000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
