Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-01-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.039, 27.630, 114.542 |
Unit cell angles | 90.00, 101.83, 90.00 |
Refinement procedure
Resolution | 48.280 - 2.352 |
Rwork | 0.221 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6t4d |
RMSD bond length | 0.003 |
RMSD bond angle | 1.258 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.280 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.092 | 0.466 |
Rmeas | 0.100 | 0.532 |
Rpim | 0.040 | 0.250 |
Number of reflections | 17460 | 1247 |
<I/σ(I)> | 13.4 | 2.8 |
Completeness [%] | 95.4 | 71.5 |
Redundancy | 6.1 | 4.1 |
CC(1/2) | 0.998 | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | 0.166 M Tris-HCl pH 8.8, 0.15 M MgCl2, 0.45 M KI, 24% PEG 2000 MME, and 4% glycerol |