7EMP
Crystal Structure of HasAp Capturing Chromium 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 | 84.956, 84.956, 84.452 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.1269 |
| Rwork | 0.125 |
| R-free | 0.16530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ell |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.590 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.950 | 48.950 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.136 | 0.095 | 0.942 |
| Rmeas | 0.141 | 0.099 | 1.002 |
| Rpim | 0.036 | 0.026 | 0.334 |
| Total number of observations | 1386064 | 8702 | 41012 |
| Number of reflections | 95756 | 621 | 4614 |
| <I/σ(I)> | 13.9 | 28.1 | 2.4 |
| Completeness [%] | 99.9 | 99.6 | 98.3 |
| Redundancy | 14.5 | 14 | 8.9 |
| CC(1/2) | 0.997 | 0.994 | 0.695 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 293 | 100mM CAPS/NaOH (pH10.5), 1.2M Sodium phosphate monobasic/0.8M pottasium phosphate dibasic, 0.2M lithium sulfate |
