3MCX
Crystal structure of SusD superfamily protein (BT_2365) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.49 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 | 2009-12-03 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97932,0.97886 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 107.161, 147.472, 73.434 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.897 - 1.490 |
R-factor | 0.143 |
Rwork | 0.142 |
R-free | 0.16100 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.533 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.897 | 28.897 | 1.540 |
High resolution limit [Å] | 1.490 | 3.210 | 1.490 |
Rmerge | 0.067 | 0.025 | 0.577 |
Number of reflections | 94843 | 18385 | 17295 |
<I/σ(I)> | 14.41 | 45.6 | 2.3 |
Completeness [%] | 99.8 | 99.8 | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 2.0000% 2-propanol, 0.2000M zinc acetate, 0.1M sodium cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |