13SY
PanDDA analysis group deposition -- IDOL RING domain in complex with POB0041
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-02-22 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92205 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.547, 47.884, 70.722 |
| Unit cell angles | 90.00, 90.91, 90.00 |
Refinement procedure
| Resolution | 18.710 - 1.291 |
| R-factor | 0.184 |
| Rwork | 0.183 |
| R-free | 0.20270 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 9sa2 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.150 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.4 (23-JAN-2024)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.650 | 39.650 | 1.310 |
| High resolution limit [Å] | 1.290 | 7.070 | 1.290 |
| Rmerge | 0.079 | 0.059 | 1.644 |
| Rmeas | 0.086 | 0.065 | 2.013 |
| Rpim | 0.034 | 0.027 | 1.126 |
| Total number of observations | 407126 | ||
| Number of reflections | 68995 | 3013 | 5773 |
| <I/σ(I)> | 12.4 | 58.2 | 0.3 |
| Completeness [%] | 92.1 | 99.7 | 51.6 |
| Redundancy | 5.9 | 6.1 | 3 |
| CC(1/2) | 0.998 | 0.998 | 0.261 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 200 mM Sodium acetate, 100 mM Tris, 30% w/v PEG 4000 |
