Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-01-03 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.560, 71.350, 61.510 |
Unit cell angles | 90.00, 114.33, 90.00 |
Refinement procedure
Resolution | 56.080 - 1.810 |
R-factor | 0.18464 |
Rwork | 0.183 |
R-free | 0.21855 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4agk |
RMSD bond length | 0.013 |
RMSD bond angle | 1.434 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.070 | 1.890 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.060 | 0.510 |
Number of reflections | 38673 | |
<I/σ(I)> | 15.1 | 3 |
Completeness [%] | 97.6 | 83.6 |
Redundancy | 3.8 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.2 M SODIUM CITRATE TRIBASIC DIHYDRATE & 20% W/V POLYETHYLENE GLYCOL 3,350 |