7MJ2
LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zn
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 | 2018-11-06 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.976 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 120.102, 120.102, 212.575 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.981 - 2.800 |
R-factor | 0.2116 |
Rwork | 0.210 |
R-free | 0.24390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1d7a |
RMSD bond length | 0.009 |
RMSD bond angle | 1.003 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.030 | 2.910 |
High resolution limit [Å] | 2.796 | 2.800 |
Rmerge | 0.088 | |
Rmeas | 0.091 | |
Rpim | 0.025 | |
Number of reflections | 39160 | 4327 |
<I/σ(I)> | 18.5 | |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 22.6 | 18.9 |
CC(1/2) | 0.999 | 0.891 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% PEG 3350, 75 mM magnesium formate, 2 mM nitrilotriacetic acid (pH to 7.5 with sodium hydroxide), 0.7 mM zinc sulfate |