3QOL
Crystal structure of Staphylococcal nuclease variant D+PHS/V23E at pH 6 determined at 100 K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-14 |
Detector | APEX II CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 31.033, 60.453, 37.626 |
Unit cell angles | 90.00, 94.44, 90.00 |
Refinement procedure
Resolution | 37.510 - 1.900 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3BDC WITH NON-PROTEIN ATOMS REMOVED B-FACTORS SET TO 20 AND RESIDUES 23 113-116 CHANGED TO ALA |
RMSD bond length | 0.018 |
RMSD bond angle | 1.695 |
Data reduction software | SAINT |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.510 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.036 | 0.214 |
Number of reflections | 11002 | |
<I/σ(I)> | 41.19 | 5.68 |
Completeness [%] | 99.6 | 99.7 |
Redundancy | 12.13 | 5.21 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 277 | 22% MPD, 25 mM Potassium Phosphate, pdTp, CaCl2, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |