Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-12-30 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.569, 72.628, 124.183 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.690 - 2.430 |
R-factor | 0.18817 |
Rwork | 0.185 |
R-free | 0.25006 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zxp |
RMSD bond length | 0.012 |
RMSD bond angle | 1.506 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.700 | 2.540 |
High resolution limit [Å] | 2.430 | 2.450 |
Number of reflections | 14570 | |
<I/σ(I)> | 14.43 | |
Completeness [%] | 95.7 | |
Redundancy | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 100mM Sodium Citrate, 200mM Ammonium acetate, 20% Polyethylene glycol 4000 |