4XDS
Deoxyguanosinetriphosphate Triphosphohydrolase from Escherichia coli with Nickel
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-29 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 189.800, 189.800, 296.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.990 - 3.354 |
R-factor | 0.1739 |
Rwork | 0.172 |
R-free | 0.20880 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.242 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.470 |
High resolution limit [Å] | 3.350 | 3.350 |
Rmerge | 0.147 | 0.699 |
Number of reflections | 76628 | |
<I/σ(I)> | 8.1 | 2 |
Completeness [%] | 98.6 | 98.7 |
Redundancy | 6.2 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 283 | Protein solution (10 mg/mL dGTPase, 20mM Tris-HCl, pH 7.0, 1mM deoxy-CCC) mixed 1:1 with well solution (0.5mM NH4SO4, 0.1M NaCitrate, 1M LiSO4, pH 5.6). Cryo conditions are well solution mixed with 25% ethylene glycol. |