3HIQ
Crystal structure of Saporin-L1 mutant (Y73A) from Saponaria officinalis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 |
Unit cell lengths | 50.646, 52.419, 54.174 |
Unit cell angles | 79.44, 66.95, 79.56 |
Refinement procedure
Resolution | 20.000 - 2.190 |
R-factor | 0.205 |
Rwork | 0.202 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.267 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 51.160 | 20.000 | 2.240 |
High resolution limit [Å] | 2.190 | 5.920 | 2.190 |
Rmerge | 0.105 | 0.047 | 0.576 |
Number of reflections | 24336 | ||
<I/σ(I)> | 7.145 | ||
Completeness [%] | 95.7 | 99.4 | 93.3 |
Redundancy | 2 | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 20% PEG2000MME, 0.1M sodium acetate, 0.4M potassium thiocyanate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |