2CDO
structure of agarase carbohydrate binding module in complex with neoagarohexaose
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-05-08 |
Detector | ADSC CCD |
Wavelength(s) | 0.97910,0.97565,0.97950 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.036, 54.979, 196.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 98.530 - 1.640 |
R-factor | 0.179 |
Rwork | 0.176 |
R-free | 0.24100 |
Structure solution method | MAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.875 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 96.120 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.110 | 0.140 |
Number of reflections | 35218 | |
<I/σ(I)> | 16.9 | 3.7 |
Completeness [%] | 69.5 | 11.3 |
Redundancy | 6.3 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 2 M NACL, 16-20 % PEG 4000, BUFFERED TO PH 7.5 WITH 100 MM TRIS/HCL. |