3FA5
CRYSTAL STRUCTURE OF a DUF849 family protein (PDEN_3495) FROM PARACOCCUS DENITRIFICANS PD1222 AT 1.90 A RESOLUTION
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.94645,0.97967 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 92.579, 139.567, 45.765 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.501 - 1.900 |
R-factor | 0.207 |
Rwork | 0.205 |
R-free | 0.24800 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.538 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.501 | 29.501 | 1.950 |
High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
Rmerge | 0.136 | 0.051 | 0.521 |
Total number of observations | 5594 | 8336 | |
Number of reflections | 43418 | ||
<I/σ(I)> | 4.467 | 11.1 | 1.5 |
Completeness [%] | 90.8 | 97.4 | 82.2 |
Redundancy | 5.2 | 9 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.314M magnesium chloride, 20.4% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |