5NRK
Crystal structure of the sixth cohesin from Acetivibrio cellulolyticus' scaffoldin B in complex with Cel5 dockerin S15I, I16N mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.539, 79.809, 112.159 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.030 - 1.450 |
| R-factor | 0.1453 |
| Rwork | 0.144 |
| R-free | 0.16990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ccl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.496 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.380 | 27.380 | 1.470 |
| High resolution limit [Å] | 1.450 | 7.940 | 1.450 |
| Rmerge | 0.057 | 0.041 | 0.203 |
| Rmeas | 0.064 | 0.046 | 0.250 |
| Rpim | 0.028 | 0.020 | 0.141 |
| Total number of observations | 327094 | 2423 | 8807 |
| Number of reflections | 74140 | ||
| <I/σ(I)> | 14.9 | 30.2 | 4.1 |
| Completeness [%] | 99.2 | 97.5 | 93.8 |
| Redundancy | 4.4 | 4.6 | 2.6 |
| CC(1/2) | 0.998 | 0.997 | 0.912 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 292 | 0.2 M sodium thiocyanate, 20% (w/v) PEG 3350 |
