8JQE
Structure of CmCBDA in complex with Mn2+ and glycerol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9778 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.617, 60.270, 87.444 |
| Unit cell angles | 90.00, 111.11, 90.00 |
Refinement procedure
| Resolution | 34.990 - 2.310 |
| R-factor | 0.1621 |
| Rwork | 0.160 |
| R-free | 0.21370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.901 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.125 | 0.522 |
| Number of reflections | 28934 | 1414 |
| <I/σ(I)> | 13.49 | |
| Completeness [%] | 99.7 | |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.04M potassium dihydrogen phosphate, 16% PEG 8000, 20% Glycerol, 10mM MnCl2, 10 mM GlcNAc |
