8SOQ
S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-21 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9787 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 120.910, 120.910, 212.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.150 - 3.100 |
R-factor | 0.2387 |
Rwork | 0.236 |
R-free | 0.28560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.656 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19_4092: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.500 | 3.290 |
High resolution limit [Å] | 3.100 | 3.100 |
Number of reflections | 29281 | 4636 |
<I/σ(I)> | 8.2 | |
Completeness [%] | 99.8 | |
Redundancy | 9.7 | |
CC(1/2) | 0.967 | 0.767 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 100 mM magnesium formate, 20% w/v PEG 3350, 2 mM nitrilotriacetic acid neutralized to a pH of ~7.5 with sodium hydroxide, and 0.7 mM zinc sulfate, 10 mM EDTA, 10 mM Nicotinic acid adenine dinucleotide sodium salt |