3R1L
Crystal structure of the Class I ligase ribozyme-substrate preligation complex, C47U mutant, Mg2+ bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-08 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 |
Unit cell lengths | 59.190, 70.237, 71.214 |
Unit cell angles | 99.86, 99.34, 103.81 |
Refinement procedure
Resolution | 37.907 - 3.125 |
Rwork | 0.197 |
R-free | 0.23980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hhn |
RMSD bond length | 0.007 |
RMSD bond angle | 1.327 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 3.200 |
High resolution limit [Å] | 3.125 | 8.520 | 3.150 |
Rmerge | 0.135 | 0.074 | 0.469 |
Number of reflections | 18739 | ||
<I/σ(I)> | 6.5 | ||
Completeness [%] | 99.1 | 99 | 98.1 |
Redundancy | 7.2 | 7.3 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 50 mM sodium cacodylate, pH 6.0, 20 mM calcium chloride, 10 mM strontium chloride, 1 mM spermine, 26% MPD, crystals were crushed and used as microseeding stocks, calcium chloride was replaced with magnesium chloride prior to freezing, VAPOR DIFFUSION, HANGING DROP, temperature 295K |