5B6T
Catalytic domain of Coprinopsis cinerea GH62 alpha-L-arabinofuranosidase complexed with Pb
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-13 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.95064 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.854, 77.765, 74.458 |
Unit cell angles | 90.00, 93.01, 90.00 |
Refinement procedure
Resolution | 27.630 - 1.480 |
R-factor | 0.15162 |
Rwork | 0.150 |
R-free | 0.17434 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n4b |
RMSD bond length | 0.011 |
RMSD bond angle | 1.507 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.630 | 1.530 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.073 | 0.441 |
Number of reflections | 321802 | |
<I/σ(I)> | 24.5 | 3.8 |
Completeness [%] | 99.4 | 97.3 |
Redundancy | 3.6 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | MES buffer, NaBr, PEG 20000 |