3FL1
X-ray structure of the non covalent swapped form of the A19P/Q28L/K31C/S32C mutant of bovine pancreatic ribonuclease in complex with 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-07-21 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.530, 65.130, 55.270 |
Unit cell angles | 90.00, 96.33, 90.00 |
Refinement procedure
Resolution | 26.790 - 1.900 |
R-factor | 0.179 |
Rwork | 0.175 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kf3 |
RMSD bond length | 0.028 |
RMSD bond angle | 2.290 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.960 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.075 | 0.342 |
Number of reflections | 20953 | |
<I/σ(I)> | 18 | 4 |
Completeness [%] | 98.7 | 97.2 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 26% PEG 4000, 0.2M ammonium sulfate, 0.1M Tris/HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |