7MJ0
LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with adenosine monophosphate AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-11-19 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.978 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 121.284, 121.284, 213.406 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.788 - 3.010 |
R-factor | 0.2373 |
Rwork | 0.235 |
R-free | 0.27460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1d7a |
RMSD bond length | 0.010 |
RMSD bond angle | 1.150 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 6.670 | 3.170 |
High resolution limit [Å] | 3.010 | 5.300 | 3.010 |
Rmerge | 0.145 | 0.101 | |
Rmeas | 0.153 | 0.107 | |
Rpim | 0.049 | 0.034 | |
Number of reflections | 32347 | 3036 | 4619 |
<I/σ(I)> | 4.9 | ||
Completeness [%] | 99.9 | 100 | 99.9 |
Redundancy | 9.7 | 9.6 | 9.1 |
CC(1/2) | 0.996 | 0.699 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% PEG 3350, 100 mM Magnesium formate, 2 mM nitrilotriacetic acid (pH to 7.5 with sodium hydroxide), 0.7 mM zinc sulfate, 10 mM EDTA, 10 mM AMP |