8PUS
Tha1 L-threonine aldolase (mouse), orthorhombic form (F222)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-12 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.873128 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 83.694, 100.524, 171.257 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.710 - 2.260 |
R-factor | 0.2113 |
Rwork | 0.210 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.596 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.710 | 2.330 |
High resolution limit [Å] | 2.260 | 2.260 |
Rmerge | 0.084 | |
Rmeas | 0.088 | |
Rpim | 0.027 | |
Number of reflections | 17051 | 1561 |
<I/σ(I)> | 16.6 | 1.5 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 9.9 | 9.9 |
CC(1/2) | 0.998 | 0.881 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.2 M sodium nitrate, 0.1 M Bis-Tris propane pH 8.5, 20% w/v PEG 3350 |