5NZ8
Clostridium thermocellum cellodextrin phosphorylase with cellotetraose and phosphate bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-22 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.810, 152.970, 92.220 |
| Unit cell angles | 90.00, 114.42, 90.00 |
Refinement procedure
| Resolution | 27.620 - 3.000 |
| R-factor | 0.2128 |
| Rwork | 0.210 |
| R-free | 0.26230 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5nz7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.159 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.1.29) |
| Phasing software | REFMAC (5) |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.620 | 27.620 | 3.080 |
| High resolution limit [Å] | 3.000 | 13.420 | 3.000 |
| Rmerge | 0.065 | 0.021 | 1.086 |
| Rmeas | 0.077 | 0.025 | 1.291 |
| Rpim | 0.041 | 0.014 | 0.692 |
| Total number of observations | 141679 | ||
| Number of reflections | 41938 | ||
| <I/σ(I)> | 12.8 | ||
| Completeness [%] | 98.0 | 80 | 94.8 |
| Redundancy | 3.4 | 3.2 | 3.4 |
| CC(1/2) | 0.999 | 0.999 | 0.425 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | NULL |
