5AGD
An inactive (D125N) variant of the catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with alpha-1,6-mannopentaose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-07 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.520, 85.725, 102.613 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.790 - 1.200 |
| R-factor | 0.12169 |
| Rwork | 0.121 |
| R-free | 0.14417 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PREVIOUSLY SOLVED NATIVE APO STRUCTURE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.436 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.020 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.040 | 1.000 |
| Number of reflections | 228606 | |
| <I/σ(I)> | 18.6 | 1.9 |
| Completeness [%] | 99.5 | 94.2 |
| Redundancy | 7.9 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M AMMONIUM NITRATE, PH 6.5, 20% PEG 3350 |
