7KSB
Crystal structure on Act c 10.0101
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-20 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.812, 38.130, 48.414 |
| Unit cell angles | 90.00, 98.86, 90.00 |
Refinement procedure
| Resolution | 27.910 - 1.950 |
| R-factor | 0.2021 |
| Rwork | 0.199 |
| R-free | 0.25720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rzl |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.784 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmeas | 0.113 | 0.483 |
| Rpim | 0.057 | 0.240 |
| Number of reflections | 10217 | 497 |
| <I/σ(I)> | 25.1 | 4.3 |
| Completeness [%] | 98.7 | 98.2 |
| Redundancy | 4 | 3.9 |
| CC(1/2) | 0.904 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4 | 295 | 0.1 M citric acid buffer, pH 4.0 with 3.0 M ammonium sulfate |
