7XI2
Crystal structure of Escherichia coli Adenine Phosphoribosyltransferase (APRT) in complex with phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2021-12-08 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.014, 47.752, 54.074 |
| Unit cell angles | 106.72, 103.09, 111.02 |
Refinement procedure
| Resolution | 35.610 - 1.650 |
| R-factor | 0.15834 |
| Rwork | 0.157 |
| R-free | 0.18387 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dy0 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.748 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.140 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.020 | 0.114 |
| Rpim | 0.013 | 0.066 |
| Number of reflections | 36928 | 1709 |
| <I/σ(I)> | 24.5 | 7.6 |
| Completeness [%] | 92.3 | 87.2 |
| Redundancy | 3.9 | 4 |
| CC(1/2) | 1.000 | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 100 mM Tris-HCl pH 8.0, 20 % PEG 4000, 0.2 M MgCl2 |
