Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-24 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.909, 62.780, 94.030 |
Unit cell angles | 90.00, 113.50, 90.00 |
Refinement procedure
Resolution | 36.679 - 1.528 |
R-factor | 0.1802 |
Rwork | 0.179 |
R-free | 0.20870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pfz |
RMSD bond length | 0.007 |
RMSD bond angle | 1.070 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.410 | 1.550 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.065 | 0.609 |
Number of reflections | 129149 | |
<I/σ(I)> | 7.5 | 1.2 |
Completeness [%] | 96.3 | 95.1 |
Redundancy | 2.7 | 2.1 |
CC(1/2) | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.7 | 293 | 100 mM sodium citrate, 25% (w/v) PEG 3350 200 mM ammonium acetate |