7NWP
A carbohydrate binding module family 9 (CBM9) from Caldicellulosiruptor kristjansonii in complex with cellobiose
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-10 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.000000 |
| Spacegroup name | I 4 3 2 |
| Unit cell lengths | 173.320, 173.320, 173.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.365 - 2.163 |
| Rwork | 0.179 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i8u |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.715 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.365 | 2.240 |
| High resolution limit [Å] | 2.163 | 2.163 |
| Number of reflections | 23991 | 2348 |
| <I/σ(I)> | 34.46 | |
| Completeness [%] | 100.0 | |
| Redundancy | 78.5 | |
| CC(1/2) | 1.000 | 0.542 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 0.1 M phosphate-citrate and 40% polyethylene glycol 300 |
