4XEH
Apo structure of KARI from Ignisphaera aggregans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 46.065, 67.482, 112.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.849 - 1.391 |
| R-factor | 0.1787 |
| Rwork | 0.176 |
| R-free | 0.23550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xdz |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.926 |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 57.849 | 32.315 | 1.470 |
| High resolution limit [Å] | 1.391 | 4.400 | 1.391 |
| Rmerge | 0.020 | ||
| Rmeas | 0.044 | ||
| Rpim | 0.022 | 0.011 | 1.079 |
| Total number of observations | 245620 | 8405 | 26935 |
| Number of reflections | 71148 | ||
| <I/σ(I)> | 13.6 | 51.1 | 0.6 |
| Completeness [%] | 97.1 | 97.2 | 87.5 |
| Redundancy | 3.6 | 3.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | 0.1 M bis-tris pH 6, 22% polyethylene glycol monomethylether 5000 |
