4AI2
Flo5A showing a heptanuclear gadolinium cluster on its surface after 41 min of soaking
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-08 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.120, 63.440, 105.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.580 - 1.790 |
| R-factor | 0.1598 |
| Rwork | 0.159 |
| R-free | 0.19494 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xjp |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.343 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.230 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.020 | 0.090 |
| Number of reflections | 29065 | |
| <I/σ(I)> | 36.1 | 12.9 |
| Completeness [%] | 99.3 | 99.9 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 200 MM BISTRIS PROPANE PH 7.5, 500 MM NACL, 20% PEG4000 |
