4Q5T
Crystal structure of an atmB (putative membrane lipoprotein) from Streptococcus mutans UA159 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 | 2012-09-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979068,0.979338,0.953725 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 58.021, 106.053, 95.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.777 - 1.907 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.23020 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.239 |
Data reduction software | XDS |
Data scaling software | XSCALE (March 15, 2012) |
Phasing software | SHELX |
Refinement software | PHENIX (1.8.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.777 | 28.777 | 1.980 |
High resolution limit [Å] | 1.910 | 4.100 | 1.910 |
Rmerge | 0.057 | 0.022 | 0.448 |
Number of reflections | 23167 | 4406 | 4385 |
<I/σ(I)> | 11.11 | 32.3 | 2 |
Completeness [%] | 98.0 | 98.1 | 96.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 293 | 0.200M sodium chloride, 50.00% polyethylene glycol 400, 0.0100M Barium Chloride, 0.1M CHES pH 9.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |