Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-01-28 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | P 4 |
Unit cell lengths | 178.550, 178.550, 80.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.460 - 2.330 |
R-factor | 0.23676 |
Rwork | 0.236 |
R-free | 0.25146 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mca |
RMSD bond length | 0.008 |
RMSD bond angle | 1.198 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.460 | 2.390 |
High resolution limit [Å] | 2.330 | 2.330 |
Rmerge | 0.200 | 0.370 |
Number of reflections | 96487 | 4048 |
<I/σ(I)> | 8.07 | |
Completeness [%] | 89.3 | 51.9 |
Redundancy | 6.8 | 1.3 |
CC(1/2) | 0.980 | 0.640 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.5 | 295 | 0.1 M HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), pH 7.5, 0.02 M magnesium chloride hexahydrate |