3SOT
Crystal structure of a Multidomain protein including DUF1735 (BACOVA_03322) from Bacteroides ovatus at 2.80 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-07 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 90.471, 123.339, 189.524 |
Unit cell angles | 90.00, 99.28, 90.00 |
Refinement procedure
Resolution | 29.966 - 2.800 |
R-factor | 0.2041 |
Rwork | 0.203 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT + SAD |
Starting model (for MR) | 3nqk |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (2.8.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.966 | 29.966 | 2.870 |
High resolution limit [Å] | 2.800 | 12.520 | 2.800 |
Rmerge | 0.060 | 0.653 | |
Total number of observations | 1402 | 9616 | |
Number of reflections | 49939 | ||
<I/σ(I)> | 5.4 | 9.1 | 1.2 |
Completeness [%] | 98.9 | 89.4 | 99.6 |
Redundancy | 2.7 | 2.7 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.7 | 277 | 0.2M MgAcetate, 20.00% PEG-3350, No Buffer, pH 7.7, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |