4BOJ
Crystal structure of Bacillus circulans TN-31 Aman6 in complex with mannobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.630, 114.140, 134.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.912 - 1.379 |
| R-factor | 0.1715 |
| Rwork | 0.171 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.478 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.000 | |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.050 | 0.510 |
| Number of reflections | 220511 | |
| <I/σ(I)> | 12.9 | 1.7 |
| Completeness [%] | 98.9 | 94.4 |
| Redundancy | 3.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M POTASSIUM SODIUM TARTRATE TETRAHYDRATE, 0.1 M SODIUM CITRATE TRIBASIC DEHYDRATE, PH 4.6, 2 M AMMONIUM SULPHATE |
