Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2008-08-08 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 82.863, 82.863, 174.419 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.850 - 1.800 |
R-factor | 0.1684 |
Rwork | 0.167 |
R-free | 0.19580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yll |
RMSD bond length | 0.023 |
RMSD bond angle | 2.001 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 74.850 | 50.000 | 1.850 |
High resolution limit [Å] | 1.790 | 3.860 | 1.790 |
Rmerge | 0.037 | 0.029 | 0.290 |
Number of reflections | 57596 | ||
<I/σ(I)> | 35.11 | ||
Completeness [%] | 98.9 | 99.9 | 88.7 |
Redundancy | 9.3 | 15 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | Ammonium formate |