5AWL
CRYSTAL STRUCTURE OF A MUTANT OF CHIGNOLIN, CLN025
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 290 |
| Detector technology | CCD |
| Collection date | 2005-12-09 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 19.246, 33.597, 11.551 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 16.800 - 1.110 |
| R-factor | 0.088 |
| R-free | 0.11880 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.026 |
| Data reduction software | SMART6000 |
| Data scaling software | SAINTPLUS |
| Phasing software | SnB (2.2) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.800 | 1.710 |
| High resolution limit [Å] | 1.110 | 1.110 |
| Rmerge | 0.057 | 0.203 |
| Number of reflections | 3094 | |
| <I/σ(I)> | 26.4 | 5 |
| Completeness [%] | 95.9 | 88.9 |
| Redundancy | 6.5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 283 | using 2 uL drop of protein at 5 mg/mL in a solution of 35.7 mM sodium citrate-citric acid buffer (pH 5.0) containing 14.5% saturated ammonium sulfate against a crystallization well solution of 71.4 mM sodium citrate-citric acid buffer (pH 5.0) containing 29% saturated ammonium sulfate. |
