5Z7P
SmChiA sliding-intermediate with chitotriose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AichiSR BEAMLINE BL2S1 |
| Synchrotron site | AichiSR |
| Beamline | BL2S1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-08-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.12 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 131.860, 199.800, 59.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.200 - 2.000 |
| Rwork | 0.155 |
| R-free | 0.18840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eib |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.200 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.072 | 0.405 |
| Number of reflections | 102372 | 16556 |
| <I/σ(I)> | 17.5 | 4.5 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 7.6 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 297 | 700 mM sodium citrate, 10% methanol, 5% glycerol |
