4XHC
rhamnosidase from Klebsiella oxytoca with rhamnose bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-07-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.068 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 148.430, 148.430, 202.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.070 - 2.700 |
R-factor | 0.1833 |
Rwork | 0.182 |
R-free | 0.20220 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.134 |
Data scaling software | Aimless |
Phasing software | SHELX |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.070 | 63.070 | 2.770 |
High resolution limit [Å] | 2.700 | 12.070 | 2.700 |
Rmerge | 0.125 | 0.030 | 1.077 |
Rpim | 0.061 | 0.015 | 0.522 |
Total number of observations | 300908 | 3424 | 22055 |
Number of reflections | 61251 | ||
<I/σ(I)> | 9.7 | 26.6 | 1.4 |
Completeness [%] | 98.5 | 95.1 | 99 |
Redundancy | 4.9 | 4.5 | 5 |
CC(1/2) | 0.995 | 0.998 | 0.625 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10% (w/v) PEG 3350, 200 mM MgSO4 | |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10% (w/v) PEG 3350, 200 mM MgSO4 |