Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-05 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.335, 70.507, 67.303 |
Unit cell angles | 90.00, 92.10, 90.00 |
Refinement procedure
Resolution | 48.710 - 2.172 |
R-factor | 0.20345 |
Rwork | 0.201 |
R-free | 0.23952 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mj2 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.005 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.710 | 2.260 |
High resolution limit [Å] | 2.172 | 2.172 |
Rmerge | 0.123 | 0.718 |
Number of reflections | 28850 | |
<I/σ(I)> | 8.35 | 1.71 |
Completeness [%] | 97.7 | 88.9 |
Redundancy | 3.5 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2 M magnesium chloride, 0.1 M HEPES, pH 7.5, 25% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |