8C66
Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD55
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | LIQUID ANODE |
Source details | Excillum MetalJet D2+ 70 kV |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-02 |
Detector | Bruker PHOTON III |
Wavelength(s) | 1.34138 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.999, 105.274, 81.317 |
Unit cell angles | 90.00, 109.77, 90.00 |
Refinement procedure
Resolution | 37.888 - 1.600 |
Rwork | 0.230 |
R-free | 0.27240 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 2.138 |
Data reduction software | AutoProcess |
Data scaling software | AutoProcess |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.890 | 37.890 | 1.630 |
High resolution limit [Å] | 1.600 | 8.750 | 1.600 |
Rmerge | 0.157 | 0.056 | 1.037 |
Rmeas | 0.176 | 0.066 | 1.221 |
Rpim | 0.078 | 0.034 | 0.628 |
Number of reflections | 119233 | 119233 | 4355 |
<I/σ(I)> | 9.4 | ||
Completeness [%] | 98.3 | ||
Redundancy | 9.7 | 6.6 | 5.3 |
CC(1/2) | 0.993 | 0.990 | 0.592 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | Protein in 10 mM MES, 150 mM NaCl, pH 6 INDEX Screen add1: Prot 9 mg/ml add2: Prot 6,57 mg/ml add3: Prot 4,5 mg/ml all drops 1 microliter drop1: 0.5 add1 + 0.5 screen Chrystal: INDEX Screen Condition 5 0.1 M HEPES pH 7.5 & 2.0 Ammonium sulfate |