3NHH
Crystal structure of Staphylococcal nuclease variant V23E-L36K at cryogenic temperature
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2008-09-23 |
Detector | APEX II CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 31.261, 60.121, 38.567 |
Unit cell angles | 90.00, 94.30, 90.00 |
Refinement procedure
Resolution | 38.460 - 2.000 |
R-factor | 0.1973 |
Rwork | 0.191 |
R-free | 0.25520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3BDC with water molecules and cofactors removed. Residues 23 36 111-117 truncated to ALA. All B-factors set to 20 A^2. |
RMSD bond length | 0.013 |
RMSD bond angle | 1.422 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | PHASER (2.1.3) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.120 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.051 | 0.169 |
Number of reflections | 9717 | |
<I/σ(I)> | 14 | 5.13 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.23 | 7.71 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 22% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |