2FD7
X-ray Crystal Structure of Chemically Synthesized Crambin
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 |
Wavelength(s) | 1.0000 |
Spacegroup name | I 41 3 2 |
Unit cell lengths | 104.924, 104.924, 104.924 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.750 |
R-factor | 0.16014 |
Rwork | 0.159 |
R-free | 0.18476 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.491 |
Refinement software | REFMAC (5.1.9999) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.795 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 9070 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | The native crambin crystals were grown from the aqueous solution by mixing a 2 ul aliquot of a crambin (10 mg/ml in pH 8.0, 100mM HEPES buffer containing 150mM NaCl) and 2 ul of a 0.8 M succinic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |