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. |
