8FUH
Rubrerythrin from B. pseudomallei: apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-05-27 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.92010 |
Spacegroup name | H 3 |
Unit cell lengths | 202.373, 202.373, 70.329 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.748 - 1.852 |
Rwork | 0.150 |
R-free | 0.18750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.416 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.210 | 29.210 | 1.880 |
High resolution limit [Å] | 1.850 | 10.140 | 1.850 |
Rmerge | 0.101 | 0.046 | 0.676 |
Rmeas | 0.138 | 0.063 | 0.934 |
Rpim | 0.093 | 0.043 | 0.643 |
Number of reflections | 90867 | 533 | 4220 |
<I/σ(I)> | 6.5 | ||
Completeness [%] | 99.4 | ||
Redundancy | 3.6 | 3.4 | 3.3 |
CC(1/2) | 0.993 | 0.995 | 0.608 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 296 | 0.5 M lithium sulfate, 0.1 M bis-tris propane, pH 7.0 |