3HIV
Crystal structure of Saporin-L1 in complex with the trinucleotide inhibitor, a transition state analogue
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 | 2008-12-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.081 |
Spacegroup name | P 1 |
Unit cell lengths | 50.329, 52.884, 54.239 |
Unit cell angles | 79.41, 66.46, 80.67 |
Refinement procedure
Resolution | 51.710 - 2.140 |
R-factor | 0.19136 |
Rwork | 0.189 |
R-free | 0.22879 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.625 |
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] | 51.710 | 20.000 | 2.230 |
High resolution limit [Å] | 2.140 | 4.610 | 2.140 |
Rmerge | 0.068 | 0.038 | 0.357 |
Number of reflections | 25749 | ||
<I/σ(I)> | 13.573 | ||
Completeness [%] | 93.4 | 99.2 | 72.2 |
Redundancy | 2.9 | 3.3 | 2.1 |
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 |