3CED
Crystal structure of the C-terminal NIL domain of an ABC transporter protein homologue from Staphylococcus aureus
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793, 0.9795 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 132.550, 132.550, 132.083 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.400 - 2.150 |
R-factor | 0.186 |
Rwork | 0.184 |
R-free | 0.21500 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.303 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.200 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.087 | 0.463 |
Number of reflections | 32344 | |
<I/σ(I)> | 8.2 | 2.4 |
Completeness [%] | 99.9 | 100 |
Redundancy | 16.3 | 16.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 289 | 20% 1,4-Butanediol, 0.1M Acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |