3GD7
Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.1158 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 137.837, 173.725, 82.574 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.000 - 2.700 |
Rwork | 0.247 |
R-free | 0.30800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q12 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.948 |
Data reduction software | d*TREK |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.000 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.121 | 0.566 |
Number of reflections | 55240 | |
<I/σ(I)> | 6.4 | 2.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.1 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 1.1-1.25 M tri-sodium citrate, pH 5.5-8, sitting drop, temperature 277K, VAPOR DIFFUSION |