Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-18 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97947 |
Spacegroup name | P 1 |
Unit cell lengths | 40.960, 41.320, 58.670 |
Unit cell angles | 101.57, 99.46, 100.54 |
Refinement procedure
Resolution | 39.457 - 2.100 |
R-factor | 0.1906 |
Rwork | 0.189 |
R-free | 0.21770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdb entries 2KY8 3qmg |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.460 | 39.460 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.044 | 0.032 | 0.970 |
Rmeas | 0.051 | 0.038 | 1.122 |
Rpim | 0.026 | 0.020 | 0.563 |
Total number of observations | 80533 | ||
Number of reflections | 20704 | 1697 | |
<I/σ(I)> | 15.3 | ||
Completeness [%] | 97.8 | 95 | 97.2 |
Redundancy | 3.9 | 3.5 | 3.9 |
CC(1/2) | 0.998 | 0.997 | 0.685 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 8% PEG550MME, 8% PEG20000, 0.2M calcium acetate |