3MF8
Crystal Structure of Native cis-CaaD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-03-29 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| Unit cell lengths | 58.987, 58.987, 58.297 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.010 |
| R-factor | 0.18625 |
| Rwork | 0.184 |
| R-free | 0.23574 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2flt |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.412 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CaspR |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.100 | 50.000 | 2.080 |
| High resolution limit [Å] | 2.010 | 4.330 | 2.010 |
| Rmerge | 0.046 | 0.028 | 0.090 |
| Number of reflections | 7768 | ||
| <I/σ(I)> | 51.6 | ||
| Completeness [%] | 99.8 | 99.1 | 99.2 |
| Redundancy | 10.7 | 11 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 9 | 298 | three micro liter of 14 mg/mL cis-CaaD protein sample mixed with three micro liter crystallization solution: 8 M (NH4)2SO4, 0.1 M Bicine buffer (pH 9.0), hanging drop, temperature 298K |
