9CC4
Crystal structure of Z4 c3ii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-13 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92010 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.593, 68.520, 111.752 |
| Unit cell angles | 90.00, 90.88, 90.00 |
Refinement procedure
| Resolution | 32.750 - 2.990 |
| R-factor | 0.246 |
| Rwork | 0.240 |
| R-free | 0.29630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.517 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.840 | 3.150 |
| High resolution limit [Å] | 2.990 | 2.990 |
| Rmerge | 0.113 | 1.260 |
| Rpim | 0.060 | 0.660 |
| Number of reflections | 19063 | 3022 |
| <I/σ(I)> | 6.3 | 1.1 |
| Completeness [%] | 90.7 | 99.8 |
| Redundancy | 5.1 | 5.5 |
| CC(1/2) | 0.993 | 0.523 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.03M Sodium fluoride, 0.03M Sodium bromide, 0.03 Sodium iodide, 0.0501M MOPS, 0.0499M Sodium HEPES, 12.5% v/v MPD, 12.5% w/v PEG 1000, 12.5% w/v PEG 3350 |
