4AHW
Flo5A showing a heptanuclear gadolinium cluster on its surface
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-06-12 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.300, 64.250, 104.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.290 - 1.500 |
| R-factor | 0.13314 |
| Rwork | 0.132 |
| R-free | 0.17469 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xjp |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.681 |
| 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] | 19.440 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.050 | 0.350 |
| Number of reflections | 50469 | |
| <I/σ(I)> | 18.6 | 4 |
| Completeness [%] | 99.4 | 98.5 |
| Redundancy | 4.6 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 200 MM BISTRISPROPANE PH 7.5, 500 MM NACL, 20% PEG 4000 |
