13SZ
PanDDA analysis group deposition -- IDOL RING domain in complex with NCL-00023835
This is a non-PDB format compatible entry.
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 | 44.560, 48.070, 70.510 |
| Unit cell angles | 90.00, 90.70, 90.00 |
Refinement procedure
| Resolution | 21.170 - 1.490 |
| R-factor | 0.19 |
| Rwork | 0.189 |
| R-free | 0.21440 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 9sa2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.8.2) |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.4 (23-JAN-2024)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.750 | 29.750 | 1.530 |
| High resolution limit [Å] | 1.490 | 6.660 | 1.490 |
| Rmerge | 0.151 | 0.067 | 2.393 |
| Rmeas | 0.163 | 0.074 | 2.663 |
| Rpim | 0.063 | 0.030 | 1.151 |
| Total number of observations | 320007 | ||
| Number of reflections | 48882 | 3587 | 18564 |
| <I/σ(I)> | 8.2 | 29 | 0.7 |
| Completeness [%] | 100.0 | 98.8 | 100 |
| Redundancy | 6.5 | 6.1 | 5.2 |
| CC(1/2) | 0.995 | 0.980 | 0.303 |
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 |
