4FLM
S-formylglutathione Hydrolase W197I Variant containing Copper
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-04 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 |
Unit cell lengths | 48.826, 49.203, 66.845 |
Unit cell angles | 73.92, 80.44, 62.60 |
Refinement procedure
Resolution | 42.520 - 2.410 |
R-factor | 0.19455 |
Rwork | 0.192 |
R-free | 0.25035 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pv1 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.202 |
Data reduction software | SAINT |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.520 | 2.510 |
High resolution limit [Å] | 2.410 | 2.410 |
Number of reflections | 20473 | |
<I/σ(I)> | 12.42 | 3.86 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.16 | 6.43 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 290 | 0.17 M ammonium acetate, 0.085 M sodium acetate trihydrate, pH 4.6, 25.5% PEG4000, 15% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K |