3X2N
Proton relay pathway in inverting cellulase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 56.295, 42.922, 62.743 |
| Unit cell angles | 90.00, 109.14, 90.00 |
Refinement procedure
| Resolution | 27.920 - 1.200 |
| R-factor | 0.10925 |
| Rwork | 0.108 |
| R-free | 0.13151 |
| Structure solution method | MIR |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.076 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Number of reflections | 44001 | |
| <I/σ(I)> | 34.92 | 15.96 |
| Completeness [%] | 99.2 | 98.1 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 3.0M Ammonium Sulphate, 20mM Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
