5U7W
Crystal structure of a nucleoside triphosphate diphosphohydrolase (NTPDase) from the legume Trifolium repens in complex with adenine and phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.910, 52.811, 72.180 |
Unit cell angles | 90.00, 94.96, 90.00 |
Refinement procedure
Resolution | 53.710 - 1.760 |
R-factor | 0.18309 |
Rwork | 0.181 |
R-free | 0.22411 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5u7p |
RMSD bond length | 0.020 |
RMSD bond angle | 2.046 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.980 | |
High resolution limit [Å] | 1.760 | |
Rmerge | 0.136 | 0.725 |
Number of reflections | 44133 | |
<I/σ(I)> | 8.7 | 0.7 |
Completeness [%] | 98.5 | 96 |
Redundancy | 4.4 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.2 M ammonium dihydrogen orthophosphate, 15% PEG 3350 |