3PEB
The Structure of a Creatine_N Superfamily domain of a dipeptidase from Streptococcus thermophilus.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-14 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.97937 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 70.503, 70.503, 160.388 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.430 - 1.860 |
R-factor | 0.1713 |
Rwork | 0.170 |
R-free | 0.19040 |
Structure solution method | SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.395 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
Rmerge | 0.074 | 0.066 | 0.782 |
Number of reflections | 20449 | ||
<I/σ(I)> | 9.9 | ||
Completeness [%] | 99.4 | 98.8 | 94.6 |
Redundancy | 23.8 | 22.1 | 15.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 297 | 0.1M CHES pH 9.5, 1.0M Sodium Citrate, VAPOR DIFFUSION, SITTING DROP, temperature 297K |