4Q9O
Crystal structure of Upps + inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ DW |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-03-08 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.590, 131.530, 53.170 |
| Unit cell angles | 90.00, 102.29, 90.00 |
Refinement procedure
| Resolution | 47.820 - 2.200 |
| R-factor | 0.1982 |
| Rwork | 0.196 |
| R-free | 0.23690 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.044 | |
| Number of reflections | 32312 | |
| <I/σ(I)> | 24 | 1.6 |
| Completeness [%] | 84.9 | 40.1 |
| Redundancy | 3.33 | 2.05 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | VAPOR DIFFUSION, HANGING DROP |
