Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-01-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 0.97920 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 119.350, 50.650, 90.310 |
Unit cell angles | 90.00, 129.37, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.740 |
R-factor | 0.17266 |
Rwork | 0.171 |
R-free | 0.20449 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e0r |
RMSD bond length | 0.006 |
RMSD bond angle | 1.048 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.790 |
High resolution limit [Å] | 1.740 | 1.740 |
Number of reflections | 42201 | |
<I/σ(I)> | 17.5 | 3 |
Completeness [%] | 98.5 | 98.3 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Sodium citrate tribasic dihydrate, 20% w/v Polyethylene glycol 3350 |