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 |
