5CAA
Structure of Leishmania nucleoside diphosphate kinase mutant P100S/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 | 112.919, 112.919, 112.919 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.230 - 2.300 |
| R-factor | 0.266 |
| Rwork | 0.264 |
| R-free | 0.29400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ngs |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.837 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.162 | 0.775 |
| Number of reflections | 21608 | |
| <I/σ(I)> | 5.5 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.4 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 281 | bis-tris propane, sodium acetate |
