2QT4
Atomic-resolution crystal structure of the natural form of Scytovirin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-08-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.480, 38.840, 59.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.420 - 1.300 |
| R-factor | 0.147 |
| Rwork | 0.145 |
| R-free | 0.19800 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.525 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 2.800 | 1.300 |
| Rmerge | 0.082 | 0.053 | |
| Number of reflections | 21876 | ||
| <I/σ(I)> | 12.3 | ||
| Completeness [%] | 99.2 | 99.1 | 95.8 |
| Redundancy | 5.6 | 5.7 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 293 | 30% PEG 8000, 0.2M Li2SO4, 0.1M Na Acetate, pH 4.7, vapor diffusion, hanging drop, temperature 293K |
