4FJ6
Crystal structure of a glycoside hydrolase family 33, candidate sialidase (BDI_2946) from Parabacteroides distasonis ATCC 8503 at 1.90 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 | PIXEL |
Collection date | 2012-04-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97922,0.91837,0.97871 |
Spacegroup name | H 3 |
Unit cell lengths | 171.738, 171.738, 243.786 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.773 - 1.900 |
R-factor | 0.2088 |
Rwork | 0.207 |
R-free | 0.24260 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.531 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 29, 2011) |
Phasing software | SHELX |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.773 | 1.970 | |
High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
Rmerge | 0.105 | 0.036 | 0.619 |
Rmeas | 0.143 | 0.049 | 0.850 |
Total number of observations | 741693 | ||
Number of reflections | 209534 | 40949 | 41170 |
<I/σ(I)> | 6.44 | 17.8 | 1.4 |
Completeness [%] | 95.9 | 95.6 | 94.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 277 | 0.2M lithium sulfate, 1.2M sodium dihydrogen phosphate, 0.8M di-potassium hydrogen phosphate, 0.1M Glycine pH 10.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP |