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 | 2015-11-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 3 |
Unit cell lengths | 185.616, 185.616, 185.616 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.500 - 6.600 |
R-factor | 0.3287 |
Rwork | 0.321 |
R-free | 0.39770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7dp3 7dpd |
RMSD bond length | 0.002 |
RMSD bond angle | 0.513 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.500 | 6.710 |
High resolution limit [Å] | 6.600 | 6.600 |
Number of reflections | 4153 | 418 |
<I/σ(I)> | 39.8 | 4.1 |
Completeness [%] | 97.8 | 100 |
Redundancy | 13.7 | 14.3 |
CC(1/2) | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1M Bis-Tris propone, pH 6.0-7.5, 0.6M sodium citrate |