Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-04-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.04 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 27.564, 115.404, 98.426 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.600 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 462d |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 4632 | |
| <I/σ(I)> | 29 | 4 |
| Completeness [%] | 94.9 | 90.7 |
| Redundancy | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 310 | PEG8000, AMMONIUM SULFATE, SPERMINE, MAGNESIUM CHLORIDE, SODIUM CACODYLATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 310K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG8000 | ||
| 10 | 1 | 2 | SODIUM CACODYLATE | ||
| 2 | 1 | 1 | AMMONIUM SULFATE | ||
| 3 | 1 | 1 | SPERMINE | ||
| 4 | 1 | 1 | MAGNESIUM CHLORIDE | ||
| 5 | 1 | 1 | SODIUM CACODYLATE | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | PEG8000 | ||
| 8 | 1 | 2 | AMMONIUM SULFATE | ||
| 9 | 1 | 2 | MAGNESIUM CHLORIDE |
