7XSA
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P2S-2E9 Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-23 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.951, 70.800, 127.800 |
| Unit cell angles | 90.00, 95.98, 90.00 |
Refinement procedure
| Resolution | 32.410 - 2.200 |
| R-factor | 0.2338 |
| Rwork | 0.231 |
| R-free | 0.28310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6m0j |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.151 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.250 |
| High resolution limit [Å] | 2.200 | 5.420 | 2.200 |
| Rmerge | 0.098 | 0.049 | 1.286 |
| Rmeas | 0.108 | 0.054 | 1.466 |
| Rpim | 0.045 | 0.022 | 0.690 |
| Total number of observations | 408404 | ||
| Number of reflections | 72654 | 5003 | 4726 |
| <I/σ(I)> | 5.5 | ||
| Completeness [%] | 99.1 | 99.3 | 97.2 |
| Redundancy | 5.6 | 5.8 | 4 |
| CC(1/2) | 0.991 | 0.998 | 0.507 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 15% v/v 2-Propanol, 0.1M Sodium citrate tribasic dihydrate pH 4.8, 11% w/v Polyethylene glycol 10000 |
