7YKC
crystal structure of the Phenylalanine-regulated 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (ARO3) from Saccharomyces cerevisiae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 73.680, 95.561, 105.785 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.370 - 3.300 |
| R-factor | 0.2562 |
| Rwork | 0.252 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold2 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.760 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.19_4092: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 105.790 | 105.790 | 3.560 |
| High resolution limit [Å] | 3.300 | 8.730 | 3.300 |
| Rmerge | 0.115 | 0.055 | 1.503 |
| Rmeas | 0.125 | 0.060 | 1.617 |
| Rpim | 0.047 | 0.024 | 0.587 |
| Total number of observations | 79559 | 4221 | 16604 |
| Number of reflections | 11363 | 711 | 2276 |
| <I/σ(I)> | 9.6 | 27.9 | 1.3 |
| Completeness [%] | 96.6 | 98.9 | 95.9 |
| Redundancy | 7 | 5.9 | 7.3 |
| CC(1/2) | 0.997 | 0.996 | 0.623 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Sodium chloride, 0.1 M BICINE pH 9.0, 20% v/v Polyethylene glycol monomethyl ether 550 |
