7DDB
Crystal structure of fungal antifreeze protein with intermediate activity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2019-03-17 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.790, 63.143, 102.086 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.680 - 1.720 |
| R-factor | 0.2103 |
| Rwork | 0.208 |
| R-free | 0.24620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b5h |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.633 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.680 | 49.630 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
| Rmerge | 0.192 | 0.141 | 1.137 |
| Rmeas | 0.201 | 0.154 | 1.186 |
| Rpim | 0.057 | 0.057 | 0.333 |
| Total number of observations | 2888 | 27042 | |
| Number of reflections | 41109 | 318 | 2140 |
| <I/σ(I)> | 8.6 | 10.2 | 2.3 |
| Completeness [%] | 99.8 | 93.6 | 99.9 |
| Redundancy | 12.9 | 9.1 | 12.6 |
| CC(1/2) | 0.980 | 0.878 | 0.849 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M Tris-HCl pH8.5, 30% (w/v) PEG 4000, 0.2M magnesium chloride |
