9BOW
X-ray structure of Thermus thermophilus serine hydroxymethyltransferase with PLP-L-Ser external aldimine and 5-formyltetrahydrofolate (folinic acid)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2023-01-10 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 1.5406 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.131, 82.814, 94.446 |
Unit cell angles | 90.00, 91.58, 90.00 |
Refinement procedure
Resolution | 29.050 - 1.800 |
R-factor | 0.1329 |
Rwork | 0.132 |
R-free | 0.15950 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.245 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.050 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.030 | 0.111 |
Rpim | 0.026 | 0.105 |
Number of reflections | 76390 | 2744 |
<I/σ(I)> | 23.3 | 7.6 |
Completeness [%] | 92.2 | 56.4 |
Redundancy | 3.5 | 2.2 |
CC(1/2) | 0.997 | 0.969 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289.15 | 40 mM NaOAc pH 5.5, 1 M (NH4)2SO4, 0.5 M Li2SO4, soaked in 40 mM NaOAc pH 5.5, 0.5 M L-Ser, 15% PEG 4000 |