6L7U
Crystal structure of FKRP in complex with Ba ion, Ba-SAD data
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-05-29 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.90000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.147, 119.241, 255.839 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.240 - 2.240 |
R-factor | 0.2018 |
Rwork | 0.200 |
R-free | 0.23420 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.767 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | autoSHARP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.250 | 2.280 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.140 | 3.288 |
Rmeas | 0.143 | 3.352 |
Number of reflections | 230030 | 5586 |
<I/σ(I)> | 22.4 | |
Completeness [%] | 99.9 | |
Redundancy | 28.4 | |
CC(1/2) | 0.999 | 0.838 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 4-8% PEG 4000, 0.1 M HEPES-NaOH (pH 7.5),0.5 M LiCl2, 20 mM BaCl2 |