5N0F
The catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with 1,6-ManSIFG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-12 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.050, 86.400, 103.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.320 - 1.690 |
| R-factor | 0.15553 |
| Rwork | 0.152 |
| R-free | 0.21794 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d4d |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.467 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.320 | 1.730 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Number of reflections | 84827 | 6332 |
| <I/σ(I)> | 13.4 | 2.4 |
| Completeness [%] | 98.6 | 99.9 |
| Redundancy | 7.6 | 8.3 |
| CC(1/2) | 0.724 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M AMMONIUM NITRATE, PH 6.5, 20% PEG 3350 |
