Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E DW |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-17 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 44.613, 44.613, 104.343 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.430 - 2.350 |
R-factor | 0.2086 |
Rwork | 0.206 |
R-free | 0.24420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q0w 1ubq |
RMSD bond length | 0.012 |
RMSD bond angle | 1.251 |
Data reduction software | HKL-2000 (2000.0.98.706) |
Data scaling software | HKL-2000 (2000.0.98.706) |
Phasing software | PHASER (6.5.0) |
Refinement software | PHENIX ((1.14_3211:000)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.059 | 0.302 |
Number of reflections | 4788 | |
<I/σ(I)> | 31.5 | 3.41 |
Completeness [%] | 98.3 | 90.6 |
Redundancy | 9.1 | 4.1 |
CC(1/2) | 0.960 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 2.1 M DL-Malic acid |