5NZ7
Clostridium thermocellum cellodextrin phosphorylase ligand free form
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 | 84.640, 151.810, 91.970 |
| Unit cell angles | 90.00, 114.60, 90.00 |
Refinement procedure
| Resolution | 47.650 - 2.300 |
| R-factor | 0.1922 |
| Rwork | 0.191 |
| R-free | 0.22270 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.177 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.1.16) |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.600 | 50.600 | 2.360 |
| High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
| Rmerge | 0.093 | 0.039 | 0.857 |
| Rmeas | 0.103 | 0.043 | 1.016 |
| Rpim | 0.042 | 0.018 | 0.539 |
| Total number of observations | 522852 | ||
| Number of reflections | 93120 | ||
| <I/σ(I)> | 14.3 | ||
| Completeness [%] | 99.6 | 98 | 97.3 |
| Redundancy | 5.6 | 5.9 | 3.4 |
| CC(1/2) | 0.997 | 0.997 | 0.594 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | NULL |
