6SBX
CdbA Form Two
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 134.690, 134.690, 53.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.470 - 2.330 |
| R-factor | 0.2183 |
| Rwork | 0.216 |
| R-free | 0.24410 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.552 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.470 | 49.420 | 2.390 |
| High resolution limit [Å] | 2.330 | 10.420 | 2.330 |
| Rmerge | 0.088 | 0.050 | 1.625 |
| Rmeas | 0.090 | 0.051 | 1.670 |
| Rpim | 0.019 | 0.011 | 0.378 |
| Total number of observations | 2780 | 14271 | |
| Number of reflections | 10699 | 152 | 743 |
| <I/σ(I)> | 17.5 | 48.9 | 1.6 |
| Completeness [%] | 99.4 | 99.4 | 95.6 |
| Redundancy | 23.6 | 18.3 | 19.2 |
| CC(1/2) | 0.999 | 0.998 | 0.647 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.1M Na malonate pH 7 0.1M Hepes 30% polyacrylate 2100 |
