3I8U
Crystal structure of PcyA-181,182-dihydrobiliverdin 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 | 2007-03-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 70.822, 95.087, 42.782 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.420 - 1.480 |
| R-factor | 0.166 |
| Rwork | 0.164 |
| R-free | 0.19700 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 2d1e |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.901 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.420 | 1.560 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.066 | 0.307 |
| Number of reflections | 46254 | |
| Completeness [%] | 95.3 | 97.9 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.85M sodium citrate, 0.1M sodium cacodylate (pH 7.0), vapor diffusion, hanging drop, temperature 293K |
