7EMR
Crystal Structure of HasAp Capturing Cobalt Tetraphenylporphyrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-12-18 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 41 |
| Unit cell lengths | 85.060, 85.060, 84.087 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.550 |
| R-factor | 0.1331 |
| Rwork | 0.132 |
| R-free | 0.16350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ell |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.430 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.920 | 48.920 | 1.580 |
| High resolution limit [Å] | 1.550 | 8.490 | 1.550 |
| Rmerge | 0.070 | 0.041 | 1.626 |
| Rmeas | 0.073 | 0.043 | 1.701 |
| Rpim | 0.019 | 0.012 | 0.493 |
| Total number of observations | 1295135 | 7340 | 50730 |
| Number of reflections | 86763 | 548 | 4317 |
| <I/σ(I)> | 22 | 62 | 1.7 |
| Completeness [%] | 100.0 | 97.5 | 100 |
| Redundancy | 14.9 | 13.4 | 11.8 |
| CC(1/2) | 1.000 | 0.998 | 0.589 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 293 | 100mM CAPS/NaOH (pH 10.5), 1.2M Sodium phosphate monobasic/0.8M pottasium phosphate dibasic, 0.2M lithium sulfate |
