1F6H
COMBINED RIETVELD AND STEREOCHEMICAL RESTRAINT REFINEMENT OF A PROTEIN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X3B1 |
| Synchrotron site | NSLS |
| Beamline | X3B1 |
| Temperature [K] | 300 |
| Detector technology | SCINTILLATOR |
| Collection date | 1998-03-20 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.411, 30.195, 34.948 |
| Unit cell angles | 90.00, 105.83, 90.00 |
Refinement procedure
| Resolution | 47.060 - 3.310 |
| R-factor | 0.035 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.630 |
| Data scaling software | PROCESS |
| Refinement software | GSAS |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 47.060 |
| High resolution limit [Å] | 3.310 |
| Number of reflections | 2088 |
| Completeness [%] | 100.0 |
| Redundancy | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.37 | 300 | saturated ammonium sulphate, sodium dihydrogen phosphate, dipotassium phosphate, powder slurry in 1.5mm capillary, 4mm long, pH 6.37, grinding, temperature 300K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | ammonium sulfate | ||
| 2 | 1 | 1 | 4 (M) |
