3LY0
Crystal structure of metallo peptidase from Rhodobacter sphaeroides liganded with phosphinate mimic of dipeptide L-Ala-D-Ala
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-19 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97915 |
Spacegroup name | P 1 |
Unit cell lengths | 46.649, 50.325, 81.436 |
Unit cell angles | 83.65, 73.64, 67.65 |
Refinement procedure
Resolution | 33.129 - 1.399 |
R-factor | 0.1704 |
Rwork | 0.169 |
R-free | 0.19200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fdg |
RMSD bond length | 0.006 |
RMSD bond angle | 1.112 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 38.900 |
High resolution limit [Å] | 1.400 |
Rmerge | 0.069 |
Number of reflections | 123178 |
Completeness [%] | 95.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 25% PEG3350, 0.1M Tric-HCl, 0.2M magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |