4DUT
The structure of nucleoside diphosphate kinase (NDK) from Burkholderia thailandensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-19 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 80.720, 80.720, 112.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.007 - 2.500 |
R-factor | 0.2138 |
Rwork | 0.211 |
R-free | 0.26350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pj9 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.371 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.007 | 2.570 | |
High resolution limit [Å] | 2.500 | 11.180 | 2.500 |
Rmerge | 0.097 | 0.016 | 0.525 |
Number of reflections | 13496 | 192 | 968 |
<I/σ(I)> | 25.98 | 71.86 | 4.13 |
Completeness [%] | 99.6 | 93.7 | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | ButhA.00438.a.A1 PS01186 at 42.64 mg/mL, 1.5 M ammonium sulfate, 0.1 M Bis-Tris propane, pH 7.0, cryoprotectant: 15% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 289K |