Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2018-01-10 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97853 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 71.977, 85.594, 105.195 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.088 - 2.392 |
R-factor | 0.2195 |
Rwork | 0.218 |
R-free | 0.23230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 01ZP |
RMSD bond length | 0.005 |
RMSD bond angle | 0.925 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BALBES |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.088 | 50.000 | 2.440 |
High resolution limit [Å] | 2.392 | 6.510 | 2.392 |
Rmerge | 0.103 | 0.083 | 0.172 |
Rmeas | 0.108 | 0.087 | 0.179 |
Rpim | 0.029 | 0.025 | 0.048 |
Number of reflections | 13149 | 725 | 645 |
<I/σ(I)> | 10.5 | ||
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 13.3 | 12 | 13.8 |
CC(1/2) | 0.992 | 0.988 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Ammonium acetate,Bis-tris ph5.5,PEG10000 |