3O0L
Crystal structure of a Pfam DUF1425 family member (Shew_1734) from Shewanella sp. pv-4 at 1.81 a resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-11 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97920,0.97860 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 62.633, 62.633, 119.040 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.760 - 1.810 |
R-factor | 0.2052 |
Rwork | 0.204 |
R-free | 0.22750 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.608 |
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] | 29.760 | 29.760 | 1.860 |
High resolution limit [Å] | 1.810 | 8.090 | 1.810 |
Rmerge | 0.047 | 0.740 | |
Total number of observations | 1488 | 11190 | |
Number of reflections | 25352 | ||
<I/σ(I)> | 13.1 | 14 | 2.2 |
Completeness [%] | 99.9 | 91.4 | 100 |
Redundancy | 6 | 4.7 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.14 | 293 | 1.4100M ammonium sulfate, 0.2000M sodium chloride, 0.1M sodium acetate pH 4.14, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |