4FKX
Crystal structure of nucleoside diphosphate kinase B from Trypanosoma brucei bound to CDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-12 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 71.630, 121.370, 112.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.330 - 1.700 |
R-factor | 0.1536 |
Rwork | 0.152 |
R-free | 0.18210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4f36 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.525 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.740 | |
High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
Rmerge | 0.079 | 0.039 | 0.438 |
Number of reflections | 53372 | 682 | 3583 |
<I/σ(I)> | 32.77 | 149.43 | 3.24 |
Completeness [%] | 98.1 | 98.3 | 90.2 |
Redundancy | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | TrbrA.00438.a.B1 PS01459 at 20.2 mg/mL against 40% MPD, 5% PEG8000, 0.1 M sodium cacodylate, pH 6.5, 2 mM CDP, 10 mM magnesium chloride, crystal tracking ID 234284b5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |