3PSM
.98A crystal structure of a dimeric plant defensin SPE10
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BSRF BEAMLINE 3W1A |
Synchrotron site | BSRF |
Beamline | 3W1A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-11-05 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 32.714, 28.111, 54.853 |
Unit cell angles | 90.00, 103.78, 90.00 |
Refinement procedure
Resolution | 10.000 - 0.980 |
R-factor | 0.1248 |
Rwork | 0.120 |
R-free | 0.16370 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.015 |
RMSD bond angle | 0.030 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | Shake (& Bake) |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.010 |
High resolution limit [Å] | 0.980 | 0.980 |
Rmerge | 0.028 | 0.486 |
Number of reflections | 55557 | |
<I/σ(I)> | 31.83 | 4.48 |
Completeness [%] | 99.3 | 96.6 |
Redundancy | 18.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 35% PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP |