3I94
Crystal structure of PcyA-biliverdin XIII alpha complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.7085 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 70.785, 94.797, 42.653 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.940 - 1.040 |
| R-factor | 0.125 |
| Rwork | 0.125 |
| R-free | 0.14800 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 2d1e |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.750 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.940 | 1.080 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.048 | 0.279 |
| Number of reflections | 134142 | |
| Completeness [%] | 99.4 | 98.9 |
| Redundancy | 6 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 2.0M ammonium sulfate, 0.2M sodium chloride, 0.1M sodium cacodylate (pH 7.0), vapor diffusion, hanging drop, temperature 293K |
