7YLK
Myoglobin containing Ir complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-17 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.97935 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.402, 57.882, 76.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.580 - 1.630 |
R-factor | 0.1936 |
Rwork | 0.192 |
R-free | 0.23310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vxa |
RMSD bond length | 0.006 |
RMSD bond angle | 0.972 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.580 | 1.660 |
High resolution limit [Å] | 1.630 | 1.630 |
Number of reflections | 19134 | 1768 |
<I/σ(I)> | 63.6 | |
Completeness [%] | 99.7 | |
Redundancy | 14 | |
CC(1/2) | 0.979 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 3.15 M (NH4)2SO4, 100 mM Tris-HCl (pH 7.5) |