2XOI
Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-11 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.787, 33.146, 72.748 |
| Unit cell angles | 90.00, 90.94, 90.00 |
Refinement procedure
| Resolution | 72.740 - 1.720 |
| R-factor | 0.21693 |
| Rwork | 0.215 |
| R-free | 0.24551 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1afu |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.006 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.060 | 0.190 |
| Number of reflections | 26200 | |
| <I/σ(I)> | 17.23 | 5.7 |
| Completeness [%] | 98.0 | 92.7 |
| Redundancy | 3.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 25 % PEG 4000, 20 MM NA CITRATE PH 5.0 |
