4ATF
Crystal structure of inactivated mutant beta-agarase B in complex with agaro-octaose
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 | 2004-12-06 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.187, 106.234, 96.983 |
| Unit cell angles | 90.00, 93.22, 90.00 |
Refinement procedure
| Resolution | 65.350 - 1.900 |
| R-factor | 0.13683 |
| Rwork | 0.134 |
| R-free | 0.18967 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oyz |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.119 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.400 | 1.870 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.090 | 0.380 |
| Number of reflections | 357984 | |
| <I/σ(I)> | 9.8 | 2.2 |
| Completeness [%] | 96.4 | 87.8 |
| Redundancy | 2.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 58% METHYL-PENTANE-DIOL, 20 MM CALCIUM CHLORIDE AND 100 MM HEPES PH 7.5 |
