Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2009-09-04 |
Detector | RIGAKU |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 87.973, 88.045, 53.073 |
Unit cell angles | 90.00, 103.37, 90.00 |
Refinement procedure
Resolution | 33.500 - 1.900 |
R-factor | 0.19 |
Rwork | 0.188 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g0b |
RMSD bond length | 0.006 |
RMSD bond angle | 0.873 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.500 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.037 | 0.100 |
Number of reflections | 29475 | |
<I/σ(I)> | 23.7 | 9.4 |
Completeness [%] | 99.6 | 99.6 |
Redundancy | 3.7 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 298 | 1.7 M AmSO4, 100 mM glycine pH 9.0, 0.6 M 3-(1-pyridino)-1-propane sulfonate [NDSB-201] and 21% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |