9HBL
SmsC2B2 complex from M. jannaschii (monoclinic form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.291, 132.733, 75.340 |
| Unit cell angles | 90.00, 111.66, 90.00 |
Refinement procedure
| Resolution | 42.300 - 2.191 |
| R-factor | 0.2105 |
| Rwork | 0.208 |
| R-free | 0.25460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.990 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.931 | 2.460 |
| High resolution limit [Å] | 2.191 | 2.191 |
| Rmerge | 0.113 | 0.856 |
| Rmeas | 0.121 | 0.928 |
| Rpim | 0.044 | 0.350 |
| Number of reflections | 42393 | 2120 |
| <I/σ(I)> | 8.9 | 1.9 |
| Completeness [%] | 93.8 | 70.7 |
| Redundancy | 7.4 | 6.7 |
| CC(1/2) | 0.996 | 0.770 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 0.1M Ammonium sulfate 0.3M Sodium formate 0.1M Sodium acetate 3% w/v PGA (Na+ form, LM) 3% w/v PEG20000 pH 5.0 |
