5YSZ
transcriptional regulator CelR-cellobiose complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 103.15 |
| Detector technology | CCD |
| Collection date | 2015-10-16 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97931 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.577, 122.428, 47.498 |
| Unit cell angles | 90.00, 121.46, 90.00 |
Refinement procedure
| Resolution | 24.421 - 1.631 |
| R-factor | 0.1492 |
| Rwork | 0.148 |
| R-free | 0.16660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jh9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.075 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11_2567) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
| High resolution limit [Å] | 1.630 | 4.420 | 1.630 |
| Rmerge | 0.084 | 0.071 | 0.202 |
| Rmeas | 0.090 | 0.077 | 0.221 |
| Rpim | 0.033 | 0.029 | 0.088 |
| Total number of observations | 346747 | ||
| Number of reflections | 46609 | 2274 | 2139 |
| <I/σ(I)> | 14.3 | ||
| Completeness [%] | 99.2 | 95.2 | 91.2 |
| Redundancy | 7.4 | 7 | 6 |
| CC(1/2) | 0.992 | 0.976 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | PEG3350, Tris |
