5J8C
Human MOF C316S, E350Q crystal structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-27 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.148, 55.676, 122.311 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.838 - 2.170 |
| R-factor | 0.1949 |
| Rwork | 0.191 |
| R-free | 0.23370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qah |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.891 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.838 | 2.200 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.059 | 0.615 |
| Number of reflections | 17414 | |
| <I/σ(I)> | 10.3 | 1.2 |
| Completeness [%] | 99.6 | 97 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M Ammonium Chloride 28% PEG 3350 0.1M BisTris-HCL pH 6.5 |
