4E16
Precorrin-4 C(11)-methyltransferase from Clostridium difficile
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 60.245, 60.245, 147.955 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.000 - 2.490 |
R-factor | 0.2069 |
Rwork | 0.204 |
R-free | 0.25830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ndc |
RMSD bond length | 0.015 |
RMSD bond angle | 1.983 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.797 | 50.000 | 2.530 |
High resolution limit [Å] | 2.490 | 6.750 | 2.490 |
Rmerge | 0.098 | 0.071 | 0.924 |
Number of reflections | 10113 | ||
<I/σ(I)> | 11.6 | 2.59 | |
Completeness [%] | 99.3 | 91.1 | 97.1 |
Redundancy | 12.1 | 9.7 | 8.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 289 | 20% PEG3350, 0.2 M sodium thiocyanate, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 289K |