3D33
Crystal structure of a duf3244 family protein with an immunoglobulin-like beta-sandwich fold (bvu_0276) from bacteroides vulgatus atcc 8482 at 1.70 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-11 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.562, 55.179, 47.116 |
Unit cell angles | 90.00, 94.31, 90.00 |
Refinement procedure
Resolution | 28.677 - 1.700 |
R-factor | 0.176 |
Rwork | 0.174 |
R-free | 0.22000 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.494 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.677 | 28.680 | 1.740 |
High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
Rmerge | 0.098 | 0.063 | 0.871 |
Total number of observations | 1979 | 12323 | |
Number of reflections | 25116 | ||
<I/σ(I)> | 4.6 | 9.4 | 0.9 |
Completeness [%] | 99.6 | 97.2 | 95.7 |
Redundancy | 7.4 | 6.7 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 277 | 0.2000M MgFormate, 20.0000% PEG-3350, No Buffer pH 5.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |