4P0E
YhdE E33A (p212121 space group)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-11-01 |
Detector | RIGAKU |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.883, 85.897, 88.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.850 - 2.300 |
R-factor | 0.1912 |
Rwork | 0.189 |
R-free | 0.24050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.712 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.063 | 0.035 | 0.299 |
Total number of observations | 98279 | ||
Number of reflections | 16082 | ||
<I/σ(I)> | 13.3 | ||
Completeness [%] | 99.1 | 99.8 | 94.2 |
Redundancy | 6.1 | 6.3 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1M Magnesium Sulfate, 0.1M MES buffer, 10-15% PEG 8000 |