7TPU
Crystal structure of a chitinase-modifying protein from Fusarium vanettenii (Fvan-cmp)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2019-07-12 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.795, 94.651, 110.478 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.760 - 2.194 |
Rwork | 0.197 |
R-free | 0.25320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | RoseTTAFold prediction |
RMSD bond length | 0.007 |
RMSD bond angle | 1.475 |
Data reduction software | HKL-2000 (721.4) |
Data scaling software | HKL-2000 (721.4) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 2.240 |
High resolution limit [Å] | 2.190 | 5.970 | 2.200 |
Rmerge | 0.356 | 0.283 | 1.202 |
Rmeas | 0.389 | 0.311 | 1.316 |
Rpim | 0.153 | 0.125 | 0.523 |
Number of reflections | 43664 | 2314 | 2143 |
<I/σ(I)> | 5.4 | ||
Completeness [%] | 99.1 | 96.4 | 99.2 |
Redundancy | 6.1 | 5.8 | 6 |
CC(1/2) | 0.904 | 0.567 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 287 | NaCl, MES, PEG 4000. Cryoprotected with additional 10% PEG 400. |