3NGS
Structure of Leishmania nucleoside diphosphate kinase b with ordered nucleotide-binding loop
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 | 2010-01-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.458 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 114.371, 114.371, 94.840 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 99.000 - 1.800 |
| R-factor | 0.18081 |
| Rwork | 0.179 |
| R-free | 0.21145 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.543 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.068 | 0.342 |
| Number of reflections | 65810 | |
| <I/σ(I)> | 3.7 | |
| Completeness [%] | 98.9 | 91.9 |
| Redundancy | 5.3 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | sodium/potassium phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
