2QFL
Structure of SuhB: Inositol monophosphatase and extragenic suppressor from E. coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ DW |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2006-11-11 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.767, 45.447, 71.758 |
Unit cell angles | 90.00, 125.43, 90.00 |
Refinement procedure
Resolution | 47.000 - 1.900 |
R-factor | 0.21331 |
Rwork | 0.209 |
R-free | 0.28555 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Hybrid of human and MJ IMPase |
RMSD bond length | 0.021 |
RMSD bond angle | 1.851 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.000 | 1.970 |
High resolution limit [Å] | 1.820 | 1.900 |
Rmerge | 0.050 | 0.270 |
Number of reflections | 15115 | |
<I/σ(I)> | 19.9 | 4.1 |
Completeness [%] | 95.0 | 36 |
Redundancy | 3.3 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 298 | 20% PEG 3350, 0.2M ammonium acetate, 0.05M TRIS, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |