1XOC
The structure of the oligopeptide-binding protein, AppA, from Bacillus subtilis in complex with a nonapeptide.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.2 |
Synchrotron site | SRS |
Beamline | PX14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-09-18 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97920 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 120.955, 90.779, 54.719 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.570 - 1.550 |
R-factor | 0.17703 |
Rwork | 0.176 |
R-free | 0.20593 |
Structure solution method | MOLECULAR REPLACEMENT + MIR |
Starting model (for MR) | 1dpe |
RMSD bond length | 0.013 |
RMSD bond angle | 1.469 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.610 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.081 | 0.788 |
Number of reflections | 88121 | |
<I/σ(I)> | 18.5 | 1.6 |
Completeness [%] | 97.3 | 72.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | PEG8000, zinc acetate, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |