4AI3
Flo5A showing a heptanuclear gadolinium cluster on its surface after 60 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 | 46.080, 64.190, 104.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.580 - 1.900 |
| R-factor | 0.16721 |
| Rwork | 0.166 |
| R-free | 0.22230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xjp |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.363 |
| 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] | 42.180 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.070 |
| Number of reflections | 23727 | |
| <I/σ(I)> | 21.2 | 16.2 |
| Completeness [%] | 94.6 | 91.6 |
| Redundancy | 4.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 200 MM BISTRIS PROPANE PH 7.5, 500 MM NACL, 20% PEG4000 |
