4IFK
Arginines 51 and 239* from a Neighboring Subunit are Essential for Catalysis in a Zinc-dependent Decarboxylase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.80 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 153.848, 49.062, 110.545 |
Unit cell angles | 90.00, 127.10, 90.00 |
Refinement procedure
Resolution | 22.919 - 2.012 |
R-factor | 0.2115 |
Rwork | 0.209 |
R-free | 0.26330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hbv |
RMSD bond length | 0.008 |
RMSD bond angle | 1.149 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.000 | 35.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.420 | 2.000 |
Rmerge | 0.107 | 0.054 | 0.478 |
Number of reflections | 42861 | ||
<I/σ(I)> | 11.6 | ||
Completeness [%] | 97.6 | 96.7 | 87.6 |
Redundancy | 5.9 | 6 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.75 | 291 | 0.1 M Tris pH 8.75, 0.2 M MgCl2, 17% PEG5000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |