8WB2
Heme-bound Arabidopsis thaliana temperature-induced lipocalin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 75.685, 75.685, 208.238 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.090 - 1.900 |
| R-factor | 0.1749 |
| Rwork | 0.174 |
| R-free | 0.19530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.860 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.069 | |
| Rmeas | 0.071 | |
| Rpim | 0.374 | |
| Number of reflections | 18556 | 1811 |
| <I/σ(I)> | 42.4 | 2.25 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 18.9 | |
| CC(1/2) | 0.993 | 0.844 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | Tris-HCl, PEG4000, lithium acetate |
