4AHX
Flo5A showing a trinuclear 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 | 2010-03-16 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.230, 62.150, 105.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.550 - 1.600 |
R-factor | 0.15358 |
Rwork | 0.153 |
R-free | 0.18327 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xjp |
RMSD bond length | 0.008 |
RMSD bond angle | 1.463 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.290 | 1.630 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.050 | 0.380 |
Number of reflections | 44903 | |
<I/σ(I)> | 16.9 | 2.9 |
Completeness [%] | 99.5 | 98.1 |
Redundancy | 3.9 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.8 | 50 MM BISTRIS PROPANE, PH 7.8, 500 MM NACL, 20% PEG 4000 |