4FKY
Crystal structure of nucleoside diphosphate kinase B from Trypanosoma brucei bound to GTP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-11 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 71.680, 121.490, 112.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.650 - 1.950 |
R-factor | 0.1495 |
Rwork | 0.147 |
R-free | 0.18840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4f36 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.523 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 | |
High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
Rmerge | 0.061 | 0.022 | 0.178 |
Number of reflections | 35706 | 454 | 2263 |
<I/σ(I)> | 23.6 | 55.76 | 6.39 |
Completeness [%] | 98.5 | 98.5 | 85.8 |
Redundancy | 6.4 |
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 GDP, 10 mM magnesium chloride, crystal tracking ID 234283b5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |