1RNJ
Crystal structure of inactive mutant dUTPase complexed with substrate analogue imido-dUTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-03-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9392 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 74.900, 74.900, 99.643 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.15812 |
| Rwork | 0.157 |
| R-free | 0.18720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1euw |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.537 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.000 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 18342 | |
| <I/σ(I)> | 8.4 | 2 |
| Completeness [%] | 98.2 | 98.2 |
| Redundancy | 20.32 | 20.81 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | PEG 3350, sodium acetate, Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
