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 |