4H1X
Crystal structure of a phosphate ABC transporter, phosphate-binding protein (SP_2084) from Streptococcus pneumoniae TIGR4 at 1.77 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-06-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97922,0.91837,0.97883 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 72.743, 61.624, 67.227 |
Unit cell angles | 90.00, 120.30, 90.00 |
Refinement procedure
Resolution | 29.482 - 1.770 |
R-factor | 0.1706 |
Rwork | 0.169 |
R-free | 0.19960 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | XSCALE (March 15, 2012) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.482 | 29.482 | 1.830 |
High resolution limit [Å] | 1.770 | 3.810 | 1.770 |
Rmerge | 0.046 | 0.026 | 0.339 |
Number of reflections | 23737 | 4470 | 4115 |
<I/σ(I)> | 11.24 | 23.5 | 2.2 |
Completeness [%] | 88.6 | 89.6 | 88.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 277 | 1.00M lithium chloride, 30.00% polyethylene glycol 6000, 0.1M citric acid pH 4.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |