2XOG
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 | 100.959, 33.091, 72.615 |
Unit cell angles | 90.00, 90.43, 90.00 |
Refinement procedure
Resolution | 72.550 - 1.720 |
R-factor | 0.21318 |
Rwork | 0.211 |
R-free | 0.24617 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1afu |
RMSD bond length | 0.007 |
RMSD bond angle | 1.376 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.4.0066) |
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 | 0.170 |
Number of reflections | 26158 | |
<I/σ(I)> | 17.5 | 5.95 |
Completeness [%] | 98.5 | 94.5 |
Redundancy | 3 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 25 % PEG 4000, 20 MM NA CITRATE PH 5.0 |