3PX9
RTA in complex with N-(furanylmethyl)-7-carbamoyl-pterin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-01-01 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.444, 67.328, 49.462 |
| Unit cell angles | 90.00, 112.52, 90.00 |
Refinement procedure
| Resolution | 33.670 - 1.890 |
| R-factor | 0.1971 |
| Rwork | 0.195 |
| R-free | 0.23860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.820 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
| High resolution limit [Å] | 1.890 | 5.130 | 1.890 |
| Rmerge | 0.050 | 0.028 | 0.432 |
| Number of reflections | 19711 | ||
| <I/σ(I)> | 23.9 | ||
| Completeness [%] | 95.9 | 99.1 | 91.5 |
| Redundancy | 3.7 | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.9 | 277 | 4.1% PEG 8000, 75 mM Bicine pH 8.9, 10 mM 2-mercaptoethanol, 1 mM EDTA, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
