1FIF
N-ACETYLGALACTOSAMINE-SELECTIVE MUTANT OF MANNOSE-BINDING PROTEIN-A (QPDWG-HDRPY)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-11-18 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 80.340, 84.833, 97.142 |
| Unit cell angles | 90.00, 107.88, 90.00 |
Refinement procedure
| Resolution | 28.680 - 1.950 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.22900 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.120 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.053 | 0.157 |
| Total number of observations | 120159 * | |
| Number of reflections | 42884 | |
| <I/σ(I)> | 16.9 | |
| Completeness [%] | 94.7 | 93 |
| Redundancy | 7.4 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 20 * | 13.5% golyethylene glycol 8,000, 100 mM Tris-HCl, 10 mM NaCl, 20 mM CaCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15-22.5 (mg/ml) | |
| 2 | 1 | drop | 10 (mM) | ||
| 3 | 1 | reservoir | PEG8000 | 13.5 (%) | |
| 4 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 5 | 1 | reservoir | 10 (mM) | ||
| 6 | 1 | reservoir | 20 (mM) | ||
| 7 | 1 | drop | 10 (mM) |
