3W8O
Crystal Structure of HasAp with Iron Phthalocyanine
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 | 2012-11-13 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 61 |
| Unit cell lengths | 153.868, 153.868, 36.699 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.230 - 1.850 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.21790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ell |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.661 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
| Rmerge | 0.088 | 0.051 | 0.366 |
| Number of reflections | 43201 | ||
| <I/σ(I)> | 13.7 | ||
| Completeness [%] | 100.0 | 99.7 | 99.9 |
| Redundancy | 8.5 | 8.2 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1M MES, 1.6M Magnesium sulfate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
