1OSD
crystal structure of Oxidized MerP from Ralstonia metallidurans CH34
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.810, 52.612, 60.006 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.530 - 2.000 |
R-factor | 0.1997 |
Rwork | 0.192 |
R-free | 0.26754 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1afi |
RMSD bond length | 0.034 |
RMSD bond angle | 2.306 |
Data reduction software | DENZO |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | BEAST |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.054 | 0.335 |
Number of reflections | 9437 | |
<I/σ(I)> | 10.7 | 2.1 |
Completeness [%] | 97.0 | 97 |
Redundancy | 4.2 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEGMME5000, Sodium acetate, Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |