3PFE
Crystal structure of a M20A metallo peptidase (dapE, lpg0809) from Legionella pneumophila subsp. pneumophila str. philadelphia 1 at 1.50 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-25 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 59.388, 178.600, 50.803 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.767 - 1.500 |
R-factor | 0.1389 |
Rwork | 0.138 |
R-free | 0.16300 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.578 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.767 | 29.767 | 1.540 |
High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
Rmerge | 0.064 | 0.772 | |
Total number of observations | 4838 | 31065 | |
Number of reflections | 87563 | ||
<I/σ(I)> | 8.5 | 9.7 | 1 |
Completeness [%] | 100.0 | 98.9 | 100 |
Redundancy | 4.9 | 4.3 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 20.00% polyethylene glycol 6000, 1.00M lithium chloride, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |