2HYQ
Crystal structure of a complex of griffithsin with 6alpha-mannobiose
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 | C 1 2 1 |
Unit cell lengths | 139.380, 34.230, 55.110 |
Unit cell angles | 90.00, 110.50, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.17832 |
Rwork | 0.175 |
R-free | 0.24255 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2guc |
RMSD bond length | 0.021 |
RMSD bond angle | 1.973 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.101 | |
Number of reflections | 15194 | |
Completeness [%] | 90.4 | 45.4 |
Redundancy | 3.3 |
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 mannose, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |