8ADX
Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD55
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-06 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.967700 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.737, 104.847, 81.495 |
Unit cell angles | 90.00, 109.86, 90.00 |
Refinement procedure
Resolution | 43.270 - 1.600 |
Rwork | 0.188 |
R-free | 0.23540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4alb |
RMSD bond length | 0.014 |
RMSD bond angle | 1.798 |
Data reduction software | AutoProcess |
Data scaling software | AutoProcess |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.270 | 43.270 | 1.620 |
High resolution limit [Å] | 1.600 | 8.740 | 1.600 |
Rmerge | 0.059 | 0.043 | 0.347 |
Rmeas | 0.081 | 0.061 | 0.466 |
Rpim | 0.055 | 0.043 | 0.309 |
Number of reflections | 116814 | 404457 | 5022 |
<I/σ(I)> | 10.6 | ||
Completeness [%] | 96.6 | ||
Redundancy | 3.5 | 2.7 | 3.5 |
CC(1/2) | 0.992 | 0.986 | 0.856 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | Protein in 10mM MES, 150mM NaCl, pH6 INDEX Screen add1: Prot 9 mg/ml add2: Prot 6,75 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 |