7R5I
High resolution Crystal structure of ExsFA, a Bacillus cereus spore exosporium protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-21 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.85 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.310, 82.587, 98.002 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.150 - 1.080 |
| R-factor | 0.1447 |
| Rwork | 0.144 |
| R-free | 0.15970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7r1m |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.128 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.150 | 63.150 | 1.140 |
| High resolution limit [Å] | 1.080 | 3.420 | 1.080 |
| Rmerge | 0.058 | 0.030 | 5.178 |
| Rmeas | 0.059 | 0.030 | 5.264 |
| Rpim | 0.009 | 0.005 | 0.922 |
| Total number of observations | 8490741 | 254686 | 878540 |
| Number of reflections | 200036 | 6335 | 28357 |
| <I/σ(I)> | 25.5 | 142.3 | 0.6 |
| Completeness [%] | 99.4 | 92.7 | 97.4 |
| Redundancy | 42.4 | 40.2 | 31 |
| CC(1/2) | 1.000 | 1.000 | 0.704 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 292 | 22.5% (v/v) PEGSH, 0.2 M KCl |
