8QBC
Reactive amide intermediate in sperm whale myoglobin mutant H64V V68A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-21 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.000002 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.842, 47.157, 76.241 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.100 - 1.230 |
R-factor | 0.1468 |
Rwork | 0.145 |
R-free | 0.18000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.301 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (v) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.100 | 1.274 |
High resolution limit [Å] | 1.230 | 1.230 |
Number of reflections | 69141 | 3019 |
<I/σ(I)> | 1.9 | |
Completeness [%] | 99.5 | 72.09 |
Redundancy | 1.9 | |
CC(1/2) | 1.000 | 0.471 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M SPG buffer (succinic acid, sodium dihydrogen phosphate glycine molar ratio 2:7:7) at pH 6.8-7.2 containing 28-32% (w/v) PEG 1500 |