8SF6
Promiscuous amino acid gamma synthase from Caldicellulosiruptor hydrothermalis in closed conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-10-18 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.1165 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 279.090, 133.120, 115.790 |
| Unit cell angles | 90.00, 94.87, 90.00 |
Refinement procedure
| Resolution | 39.925 - 1.702 |
| Rwork | 0.154 |
| R-free | 0.17910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.944 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.750 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 2.022 | |
| Rmeas | 0.107 | |
| Number of reflections | 446747 | 31785 |
| <I/σ(I)> | 15.1 | 1.79 |
| Completeness [%] | 97.1 | 93.7 |
| Redundancy | 14 | 14.1 |
| CC(1/2) | 0.999 | 0.794 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | Well solution of 100 mM MES buffer, pH 6.5, 4-5% w/v gamma-PGA (Na+ form, low molecular weight), 12-15% w/v PEG 4000. Well solution was mixed in a 1:1 ratio with Cahy protein at 20 mg/mL |
