7K4P
Crystal structure of Kemp Eliminase HG3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-02-18 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.610, 58.030, 81.610 |
| Unit cell angles | 90.00, 101.42, 90.00 |
Refinement procedure
| Resolution | 32.930 - 1.080 |
| R-factor | 0.1934 |
| Rwork | 0.193 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bs0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.983 |
| Data reduction software | Aimless |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_3965) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.930 | 1.120 |
| High resolution limit [Å] | 1.080 | 1.081 |
| Number of reflections | 188303 | 18272 |
| <I/σ(I)> | 6.37 | |
| Completeness [%] | 95.2 | 92.71 |
| Redundancy | 6.3 | 6.2 |
| CC(1/2) | 0.998 | 0.548 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M magnesium chloride hexahydrate, 0.1 M HEPES, pH 7.5, 25% (w/v) polyethylene glycol (PEG) 3,350 |
