5CAB
Structure of Leishmania nucleoside diphostate kinase mutant Del5-Cterm
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-05-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.458 |
Spacegroup name | P 21 3 |
Unit cell lengths | 113.212, 113.212, 113.212 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.801 - 2.953 |
R-factor | 0.2304 |
Rwork | 0.229 |
R-free | 0.26570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ngs |
RMSD bond length | 0.006 |
RMSD bond angle | 1.199 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP (11.0.05) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.060 |
High resolution limit [Å] | 2.950 | 6.350 | 2.950 |
Rmerge | 0.081 | 0.033 | 0.679 |
Total number of observations | 51126 | ||
Number of reflections | 10372 | ||
<I/σ(I)> | 10.8 | ||
Completeness [%] | 99.2 | 98.7 | 93.5 |
Redundancy | 4.9 | 5 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.33 | 291 | ammonium sulfate, citric acid buffer |