6DS8
Crystal structure of MhuD R26S mutant with two Manganese protoporphyrin IX bound per active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-07 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.020, 68.701, 74.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.502 - 2.400 |
R-factor | 0.1866 |
Rwork | 0.181 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hx9 |
Data reduction software | MOSFLM |
Data scaling software | pointless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.502 | 2.486 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.017 | 0.083 |
Rmeas | 0.025 | 0.117 |
Rpim | 0.017 | 0.083 |
Number of reflections | 7868 | 760 |
<I/σ(I)> | 26.25 | 7.58 |
Completeness [%] | 95.1 | 93.6 |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.980 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2 M ammonium sulfate, 0.1 M HEPES pH 7.5, 25% (w/v) Polyethylene glycol 3350 |