2H98
Crystal structure of the effector binding domain of a CatM variant, CatM(V158M)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-09 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 |
Unit cell lengths | 37.447, 51.038, 59.120 |
Unit cell angles | 69.55, 89.51, 77.63 |
Refinement procedure
Resolution | 44.200 - 1.800 |
R-factor | 0.171 |
Rwork | 0.167 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB accession code 2F7B CatM-EBD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.067 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.045 | 0.346 |
Number of reflections | 34934 | 3450 |
<I/σ(I)> | 9.4 | 14.3 |
Completeness [%] | 94.5 | 89.87 |
Redundancy | 1.6 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 296.4 | Precipitant:0.1 M LiCL, 0.1 M MES, 40% PEG8000 Protein: 20 mM tris HCl, 0.5 M NaCl, 250 mM imidazole, pH 7.9, 10% glycerol Equal volumes mixed, Microbatch under oil. The growing crystallization solution was in pH 6 and the protein solution was in pH 7.9 condition, temperature 296.4K |