6QFS
Chargeless variant of the Cellulose-binding domain from Cellulomonas fimi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.953720 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 137.382, 137.382, 148.548 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 63.005 - 2.200 |
| R-factor | 0.1782 |
| Rwork | 0.177 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1exg |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.985 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.270 | 74.270 | 2.240 |
| High resolution limit [Å] | 2.200 | 11.430 | 2.200 |
| Rmerge | 0.093 | 0.045 | 0.937 |
| Rmeas | 0.097 | 0.047 | 0.975 |
| Rpim | 0.026 | 0.013 | 0.267 |
| Total number of observations | 1163311 | 8197 | 58899 |
| Number of reflections | 82435 | 670 | 4500 |
| <I/σ(I)> | 16.5 | 47.4 | 3 |
| Completeness [%] | 99.9 | 99.4 | 100 |
| Redundancy | 14.1 | 12.2 | 13.1 |
| CC(1/2) | 0.999 | 0.998 | 0.687 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 283.15 | 0.045 M ZnSO4 heptahydrate, 0.45 M MES monohydrate pH 6.5, 11.25% PEG monomethyl ether 550, 0.0275 M CdSO4 hydrate, 0.055 M HEPES pH 7.5, 0.55 M Na acetate trihydrate |
