3NGR
Crystal structure of Leishmania nucleoside diphosphate kinase b with unordered 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 | 2010-03-10 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.458 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 120.769, 120.769, 64.892 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 104.590 - 2.950 |
R-factor | 0.25731 |
Rwork | 0.253 |
R-free | 0.35050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | : 1NSK |
RMSD bond length | 0.029 |
RMSD bond angle | 2.572 |
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] | 104.590 | 3.060 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.086 | 0.347 |
Number of reflections | 6148 | |
<I/σ(I)> | 4.5 | |
Completeness [%] | 98.0 | 86.5 |
Redundancy | 11.2 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | sodium/potassium phosphate, pH pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |