2BBE
Crystal structure of protein SO0527 from Shewanella oneidensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-08-23 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97956 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 94.191, 94.191, 97.147 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.970 |
R-factor | 0.17347 |
Rwork | 0.172 |
R-free | 0.19536 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.314 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.073 | 0.241 |
Number of reflections | 15765 | |
<I/σ(I)> | 36.4 | 2.61 |
Completeness [%] | 98.1 | 80.6 |
Redundancy | 7.4 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 1.0 M Ammonium sulfate 0.1 M Bis-Tris 1 % PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |