7BLH
Structure of CBM BT3015C from Bacteroides thetaiotaomicron in complex with O-GalNAc core 1-Thr
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER IMUS MICROFOCUS |
| Temperature [K] | 110 |
| Detector technology | CMOS |
| Collection date | 2019-04-17 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.525, 64.011, 70.211 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.420 - 1.790 |
| R-factor | 0.159 |
| Rwork | 0.157 |
| R-free | 0.20270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7blg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.856 |
| Data reduction software | SADABS |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.650 | 1.890 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.092 | 0.256 |
| Number of reflections | 15596 | 2194 |
| <I/σ(I)> | 19.09 | |
| Completeness [%] | 99.2 | |
| Redundancy | 5.82 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Protein at 8mg/ml 0.2 M potassium formate and 20 % w/v PEG 6000 |
