7EMW
Crystal Structure of the HasAp V37G/K59Q Mutant Capturing Iron Tetraphenylporphyrin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.700 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.700, 58.340, 65.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.510 - 1.120 |
R-factor | 0.1437 |
Rwork | 0.143 |
R-free | 0.15860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ell |
RMSD bond length | 0.010 |
RMSD bond angle | 1.612 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.510 | 43.510 | 1.150 |
High resolution limit [Å] | 1.120 | 5.010 | 1.120 |
Rmerge | 0.070 | 0.055 | 4.390 |
Rmeas | 0.071 | 0.056 | 4.447 |
Total number of observations | 2853115 | ||
Number of reflections | 72261 | 932 | 5294 |
<I/σ(I)> | 24.82 | 81.18 | 1.2 |
Completeness [%] | 100.0 | 99.7 | 99.9 |
Redundancy | 39.483 | 33.545 | 38.848 |
CC(1/2) | 0.999 | 0.998 | 0.487 |
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 |