8SF5
Promiscuous amino acid gamma synthase from Caldicellulosiruptor hydrothermalis in open conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-09-22 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 79.921, 79.921, 230.492 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.324 - 2.300 |
| Rwork | 0.207 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.305 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmeas | 0.126 | 1.949 |
| Number of reflections | 38922 | 2810 |
| <I/σ(I)> | 13.6 | 1.29 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 10.7 | 9.2 |
| CC(1/2) | 0.999 | 0.473 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 16% PEG 3350, 0.125 M Sodium Thiocyanate pH 8.0. Protein was 20 mg/mL in 50 mM HEPES pH 7.5. Four microliter drops were formed with a 1:1 mixture of protein and well solution. Crystals formed slowly over the course of 10 months |
