2XJU
X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae with mutation S227A in complex with calcium and a1,2-mannobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-08-24 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.470, 62.570, 105.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.400 - 1.700 |
| R-factor | 0.1645 |
| Rwork | 0.164 |
| R-free | 0.19711 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | UNPUBLISHED STRUCTURAL DATA |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.740 |
| 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] | 19.400 | 1.760 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.050 | 0.270 |
| Number of reflections | 35802 | |
| <I/σ(I)> | 18.4 | 5 |
| Completeness [%] | 98.2 | 93.9 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.5 M NACL, BISTRIS-PROPANE PH7.5, 20% PEG-4000 |
