2NU5
Crystal structure of a complex of griffithsin cocrystallized with N-acetylglucosamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.570, 53.410, 104.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.564 |
| R-factor | 0.16507 |
| Rwork | 0.163 |
| R-free | 0.20512 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2guc |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.935 |
| Data reduction software | DENZO ((HKL-2000)) |
| Data scaling software | SCALEPACK ((HKL-2000)) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.620 |
| High resolution limit [Å] | 1.564 | 1.564 |
| Number of reflections | 30231 | |
| Completeness [%] | 98.8 | 92.3 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.8M magnesium sulfate, 0.1M MES, 1:10 ratio of griffithsin monomers to N-acetylglucosamine, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
