3U01
Crystal structure of onconase double mutant C30A/C75A at 1.12 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2010-01-08 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.288, 38.664, 69.514 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.757 - 1.120 |
R-factor | 0.13708 |
Rwork | 0.136 |
R-free | 0.14956 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1onc |
RMSD bond length | 0.008 |
RMSD bond angle | 1.272 |
Data reduction software | CrysalisPro |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.757 | 1.150 |
High resolution limit [Å] | 1.120 | 1.120 |
Rmerge | 0.344 | |
Number of reflections | 33823 | |
<I/σ(I)> | 7.5 | 1.8 |
Completeness [%] | 97.5 | 83.9 |
Redundancy | 2.9 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 30% PEG8000, 0.2 M lithium sulfate, 100 mM sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |