9SV2
Intertwined dimer of the Acylphosphatase from E. coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-07 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.967697 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 90.787, 90.787, 40.278 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.770 - 1.950 |
| R-factor | 0.2103 |
| Rwork | 0.208 |
| R-free | 0.26280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.236 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.770 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.143 | 0.957 |
| Rmeas | 0.164 | 1.096 |
| Rpim | 0.079 | 0.521 |
| Total number of observations | 24365 | 1741 |
| Number of reflections | 6191 | 431 |
| <I/σ(I)> | 5.8 | 1.2 |
| Completeness [%] | 83.2 | |
| Redundancy | 3.9 | 4 |
| CC(1/2) | 0.993 | 0.598 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M ammonium sulfate, 30% w/v polyethene glycol 4000 |
