Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-02 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9791 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 138.085, 138.085, 225.342 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.250 - 2.950 |
R-factor | 0.22414 |
Rwork | 0.221 |
R-free | 0.27519 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3glr |
RMSD bond length | 0.008 |
RMSD bond angle | 1.502 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.020 |
High resolution limit [Å] | 2.950 | 2.960 |
Number of reflections | 51122 | |
<I/σ(I)> | 19.96 | |
Completeness [%] | 99.5 | |
Redundancy | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 12% PEG4K, 0.1 M sodium malonate, pH 6.5, 5% isopropanol |