3D02
Crystal structure of periplasmic sugar-binding protein (YP_001338366.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.30 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-16 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91162,0.97932,0.97918 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 66.240, 76.960, 113.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.630 - 1.300 |
R-factor | 0.158 |
Rwork | 0.157 |
R-free | 0.17200 |
Structure solution method | MAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.767 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.630 | 28.630 | 1.350 |
High resolution limit [Å] | 1.300 | 2.800 | 1.300 |
Rmerge | 0.042 | 0.022 | 0.405 |
Number of reflections | 70966 | 13372 | 12539 |
<I/σ(I)> | 11.43 | 30.1 | 2 |
Completeness [%] | 96.5 | 96.4 | 84.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 277 | 1.00M LiCl, 30.00% PEG-6000, 0.1M Citrate pH 4.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |