2PYU
Structure of the E. coli inosine triphosphate pyrophosphatase RgdB in complex with IMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-03-20 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 77.941, 77.941, 81.073 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.030 - 2.020 |
| R-factor | 0.19506 |
| Rwork | 0.192 |
| R-free | 0.25346 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB CODE 1K7K |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.236 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.057 | 0.476 |
| Number of reflections | 31488 | |
| <I/σ(I)> | 37.5 | 5.5 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 4.9 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 20% PEG3350, 200 mM Mg Acetate, cryoprotected with 7% each of glycerol, sucrose and ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
