3UP6
Crystal structure of a putative cell adhesion protein (BACOVA_04078) from Bacteroides ovatus ATCC 8483 at 2.80 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793,0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.043, 91.138, 106.356 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.931 - 2.800 |
R-factor | 0.2051 |
Rwork | 0.203 |
R-free | 0.24990 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.250 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 6, 2010) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.931 | 45.930 | 2.900 |
High resolution limit [Å] | 2.800 | 5.980 | 2.800 |
Rmerge | 0.147 | 0.066 | 0.719 |
Number of reflections | 18914 | 2064 | 1865 |
<I/σ(I)> | 9.13 | 18.3 | 2.08 |
Completeness [%] | 98.1 | 96.9 | 99.9 |
Redundancy | 4.67 | 4.88 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.33 | 277 | 1.0M lithium chloride, 18.0% polyethylene glycol 6000, 0.1M sodium citrate - citric acid pH 5.33, Additive: 0.001 M iron (II) chloride, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |