7A1H
Crystal structure of wild-type CI2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Agilent SuperNova |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-05-09 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 68.266, 68.266, 52.605 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 1.900 |
| R-factor | 0.2053 |
| Rwork | 0.203 |
| R-free | 0.25380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ci2 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.073 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER (2.5.7) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.949 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rpim | 0.033 | 0.332 |
| Number of reflections | 6063 | 453 |
| <I/σ(I)> | 10.4 | 1.7 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 8.7 | |
| CC(1/2) | 0.999 | 0.565 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 40 % (NH4)2SO4, 50 mM Tris-Hcl, pH 8.0. Protein concentration app 75 mg/mL. |
