2XJR
X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae in complex with calcium and Man5(D2-D3)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-07 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.460, 61.910, 106.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.350 - 1.250 |
R-factor | 0.11369 |
Rwork | 0.113 |
R-free | 0.13996 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | UNPUBLISHED STRUCTURAL DATA |
RMSD bond length | 0.011 |
RMSD bond angle | 2.060 |
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] | 19.430 | 1.320 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.070 | 0.590 |
Number of reflections | 85499 | |
<I/σ(I)> | 21 | 3.6 |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 10.7 | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.5 M NACL, 0.05 M BISTRIS-PROPANE PH 7.2, 20% PEG 4000 |