Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.752, 148.559, 131.720 |
Unit cell angles | 90.00, 98.30, 90.00 |
Refinement procedure
Resolution | 42.360 - 2.570 |
R-factor | 0.1946 |
Rwork | 0.193 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ijb |
RMSD bond length | 0.003 |
RMSD bond angle | 0.595 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.550 | 6.920 | 2.550 |
Rmerge | 0.104 | 0.056 | 0.959 |
Rmeas | 0.116 | 0.066 | |
Rpim | 0.063 | 0.035 | 0.606 |
Total number of observations | 315421 | ||
Number of reflections | 84084 | 4255 | 4086 |
<I/σ(I)> | 7.2 | ||
Completeness [%] | 99.6 | 98.6 | 97.5 |
Redundancy | 3.8 | 3.7 | 3.3 |
CC(1/2) | 0.991 | 0.558 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1 M Tris, pH 8.0, 0.2 M lithium chloride, 12% PEG8000 |