3NGU
Structure of Leishmania NDKb complexed with ADP.
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 | 2010-05-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.458 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 123.213, 123.213, 137.983 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.000 - 2.290 |
| R-factor | 0.2196 |
| Rwork | 0.216 |
| R-free | 0.28286 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.040 |
| RMSD bond angle | 2.934 |
| 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] | 32.000 | 2.380 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.091 | 0.436 |
| Number of reflections | 17366 | |
| <I/σ(I)> | 1.6 | |
| Completeness [%] | 95.3 | 91.2 |
| Redundancy | 10.5 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG3350 Sodium sulphate, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
