Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 110 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 2003-09-03 |
| Detector | ENRAF-NONIUS FAST |
| Wavelength(s) | 0.979,0.968 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.580, 110.910, 80.080 |
| Unit cell angles | 90.00, 107.17, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.233 |
| Rwork | 0.230 |
| R-free | 0.26700 |
| Structure solution method | MAD |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 35479 | |
| Completeness [%] | 67.9 | 10 |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.0 M sodium citrate, 0.1 M sodium cacodylate, 1.5% 1,2,3-heptanetriol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | sodium citrate | ||
| 2 | 1 | 1 | sodium cacodylate | ||
| 3 | 1 | 1 | 1,2,3-heptanetriol | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | sodium citrate | ||
| 6 | 1 | 2 | sodium cacodylate |
