4NUN
Crystal structure of copper-bound Na-ASP-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-16 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95375 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.953, 51.267, 43.288 |
Unit cell angles | 90.00, 93.96, 90.00 |
Refinement procedure
Resolution | 29.000 - 2.200 |
R-factor | 0.1776 |
Rwork | 0.175 |
R-free | 0.23080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nui |
RMSD bond length | 0.009 |
RMSD bond angle | 1.264 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.000 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 16019 | |
Completeness [%] | 99.6 | 100 |
Redundancy | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 289 | 40% PEG4000, 20 mM TRIS, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |