7UWV
CBM74 from Ruminococcus bromii Sas6 with maltodecaose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-10-05 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 69.690, 160.071, 67.858 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.040 - 1.700 |
| R-factor | 0.1739 |
| Rwork | 0.173 |
| R-free | 0.19820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7uwu |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.292 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 80.040 | 80.040 | 1.790 |
| High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
| Rmerge | 0.053 | 0.024 | 0.677 |
| Rmeas | 0.057 | 0.026 | 0.740 |
| Rpim | 0.023 | 0.011 | 0.296 |
| Total number of observations | 512902 | 15884 | 74784 |
| Number of reflections | 84139 | 2873 | 12121 |
| <I/σ(I)> | 17.2 | 46.6 | 2.5 |
| Completeness [%] | 99.9 | 99.2 | 100 |
| Redundancy | 6.1 | 5.5 | 6.2 |
| CC(1/2) | 0.999 | 0.999 | 0.860 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 30% Tacsimate, 0.1M HEPES |
