7U6J
HalB with lysine and succinate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 194 |
| Detector technology | PIXEL |
| Collection date | 2019-03-22 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.11 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.241, 136.079, 116.240 |
| Unit cell angles | 90.00, 100.02, 90.00 |
Refinement procedure
| Resolution | 69.170 - 1.900 |
| R-factor | 0.1642 |
| Rwork | 0.162 |
| R-free | 0.21120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nie |
| Data reduction software | XDS (Jan 26,2018) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.600 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 168084 | 8185 |
| <I/σ(I)> | 8 | 1.1 |
| Completeness [%] | 99.6 | 98.8 |
| Redundancy | 6.9 | 7 |
| CC(1/2) | 0.997 | 0.449 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | Equal volumes of protein solution (SwHalB (3 mg/mL), lysine (3 mM), aKG (3 mM, pH 7)) and reservoir solution (succinate phosphate lysine (SPL) buffer (100 mM), 20% (w/v) PEG 1500, pH 5.5) were mixed |
