8W71
Structural basis of chorismate isomerization by Arabidopsis isochorismate synthase ICS1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-27 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.979183 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.103, 73.901, 103.784 |
| Unit cell angles | 70.84, 84.46, 90.02 |
Refinement procedure
| Resolution | 39.030 - 2.121 |
| R-factor | 0.1811 |
| Rwork | 0.180 |
| R-free | 0.20960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.907 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.15_3459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.410 | 2.240 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmerge | 0.075 | 0.248 |
| Number of reflections | 84255 | 12284 |
| <I/σ(I)> | 5.4 | |
| Completeness [%] | 93.4 | |
| Redundancy | 2.2 | |
| CC(1/2) | 0.965 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 2.8M sodium formate, 0.08M sodium acetate trihydrate at pH 4.6, 0.02M magnesium formate dihydrate, 3% w/v Polyethylene glycol 3350 |
