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 |