7R8Z
Ancestral protein AncEn of Phosphomethylpyrimidine kinases family
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.45867 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 78.451, 78.451, 142.973 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.150 - 2.300 |
R-factor | 0.2046 |
Rwork | 0.204 |
R-free | 0.22360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jxh |
RMSD bond length | 0.002 |
RMSD bond angle | 0.518 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.150 | 2.380 |
High resolution limit [Å] | 2.298 | 2.298 |
Rmerge | 0.089 | 1.648 |
Rmeas | 0.091 | 1.683 |
Rpim | 0.018 | 0.338 |
Number of reflections | 20580 | 1984 |
<I/σ(I)> | 26.96 | 1.91 |
Completeness [%] | 99.8 | |
Redundancy | 25 | |
CC(1/2) | 1.000 | 0.826 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 292 | Protein condition: Protein 20 mg/mL, HEPES 50 mM pH 8.0, NaCl 150 mM and 2-mercaptoethanol 5 mM Reservoir condition: Potassium sodium tartrate 0.8 M, Tris 0.1 M pH 8.0, PEG-MME 5000 0.5% v/v |