7EMV
Crystal Structure of the HasAp V37G Mutant Capturing Iron-5,10,15-Triphenylporphyrin
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 43 21 2 |
| Unit cell lengths | 84.347, 84.347, 45.735 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.450 |
| R-factor | 0.1319 |
| Rwork | 0.129 |
| R-free | 0.17600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xic |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.888 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.740 | 45.740 | 1.470 |
| High resolution limit [Å] | 1.450 | 7.940 | 1.450 |
| Rmerge | 0.087 | 0.033 | 1.461 |
| Rmeas | 0.089 | 0.034 | 1.519 |
| Rpim | 0.017 | 0.007 | 0.409 |
| Total number of observations | 768780 | 4921 | 17765 |
| Number of reflections | 29690 | 233 | 1314 |
| <I/σ(I)> | 25 | 76 | 1.9 |
| Completeness [%] | 99.6 | 98.7 | 92.9 |
| Redundancy | 25.9 | 21.1 | 13.5 |
| CC(1/2) | 1.000 | 1.000 | 0.552 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 100mM Imidazole/HCl (pH 8.0), 30% PEG 8000, 0.2M NaCl |
