3S9J
Crystal structure of a member of duf4221 family (BVU_1028) from Bacteroides vulgatus atcc 8482 at 1.75 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 | 2011-04-22 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91162,0.97925 |
Spacegroup name | P 63 |
Unit cell lengths | 113.551, 113.551, 77.697 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.388 - 1.750 |
R-factor | 0.1436 |
Rwork | 0.142 |
R-free | 0.16860 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.475 |
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] | 28.388 | 28.388 | 1.800 |
High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
Rmerge | 0.078 | 0.054 | 0.595 |
Total number of observations | 2707 | 18603 | |
Number of reflections | 57440 | ||
<I/σ(I)> | 10.5 | 11.7 | 1.3 |
Completeness [%] | 99.9 | 96.7 | 99.9 |
Redundancy | 4.5 | 4.1 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 10.00% Glycerol, 3.60M sodium formate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |