2VB3
Crystal structure of Ag(I)CusF
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-07-03 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.658, 44.229, 44.241 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.240 - 2.330 |
R-factor | 0.242 |
Rwork | 0.241 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zeq |
RMSD bond length | 0.011 |
RMSD bond angle | 1.569 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.000 | 2.460 |
High resolution limit [Å] | 2.330 | 2.330 |
Rmerge | 0.060 | 0.210 |
Number of reflections | 3624 | |
<I/σ(I)> | 26.4 | 6.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.7 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 2.5 M (NH4)2SO4 5% ISOPROPANOL 0.1 M NA CITRATE, PH 5.6 |