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 |