7EMT
Crystal Structure of the HasAp V37G Mutant Capturing Iron Tetraphenylporphyrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-26 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.978, 60.757, 64.229 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.212 |
| Rwork | 0.211 |
| R-free | 0.22120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ell |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.380 |
| 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] | 44.140 | 44.140 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.040 | 0.017 | 2.417 |
| Rmeas | 0.041 | 0.018 | 2.524 |
| Rpim | 0.011 | 0.005 | 0.718 |
| Total number of observations | 252813 | 1899 | 13177 |
| Number of reflections | 19112 | 193 | 1099 |
| <I/σ(I)> | 29.8 | 132.1 | 1.1 |
| Completeness [%] | 100.0 | 99.1 | 99.6 |
| Redundancy | 13.2 | 9.8 | 12 |
| CC(1/2) | 1.000 | 1.000 | 0.606 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.6 | 293 | 50mM Citric acid/NaOH (pH 3.6), 10% PEG 1000 |
