4MMN
Structural and biochemical analysis of type II free methionine-R-sulfoxide reductase from Thermoplasma acidophilum
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 | CCD |
Collection date | 2012-07-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97880 |
Spacegroup name | H 3 |
Unit cell lengths | 158.902, 158.902, 194.596 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.089 - 2.600 |
R-factor | 0.1971 |
Rwork | 0.196 |
R-free | 0.23960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mmh |
RMSD bond length | 0.009 |
RMSD bond angle | 1.190 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.085 | 0.389 |
Number of reflections | 54183 | |
<I/σ(I)> | 14.205 | 1.4 |
Completeness [%] | 96.2 | 73.6 |
Redundancy | 4.9 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.17M ammonium acetate, 0.085M sodium acetate trihydrate (pH 4.6), 25.5% polyethylene glycol 4000, 15% glycerol. , VAPOR DIFFUSION, HANGING DROP, temperature 293K |