4IAJ
Crystal structure of a conserved domain protein (SP_1775) from Streptococcus pneumoniae TIGR4 at 1.91 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 | 2012-09-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.918401,0.979338,0.979111 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.152, 98.168, 68.930 |
Unit cell angles | 90.00, 107.20, 90.00 |
Refinement procedure
Resolution | 29.304 - 1.910 |
R-factor | 0.1824 |
Rwork | 0.180 |
R-free | 0.23240 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.181 |
Data reduction software | XDS |
Data scaling software | XSCALE (March 15, 2012) |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.304 | 1.980 | |
High resolution limit [Å] | 1.910 | 4.100 | 1.910 |
Rmerge | 0.051 | 0.017 | 0.564 |
Number of reflections | 48771 | 9504 | 9493 |
<I/σ(I)> | 10.68 | 32.4 | 1.5 |
Completeness [%] | 96.2 | 95.9 | 95.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2M magnesium nitrate, 20.0% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |