7K4W
Crystal structure of Kemp Eliminase HG3.17 in the inactive state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.390, 67.390, 74.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.040 - 1.900 |
| R-factor | 0.2136 |
| Rwork | 0.210 |
| R-free | 0.25460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bs0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.921 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_3965) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.040 | 1.968 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 25033 | 2465 |
| <I/σ(I)> | 4.74 | |
| Completeness [%] | 99.8 | |
| Redundancy | 11.9 | |
| CC(1/2) | 0.979 | 0.251 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 310 | The protein was dialyzed in 380 mM Bis-Tris propane, pH 10, and 200 mM calcium chloride. Crystals were obtained in 2.1 M malic acid, pH 7. |
