Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.3051 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 95.160, 95.160, 52.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.000 - 2.855 |
Rwork | 0.207 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ath |
RMSD bond length | 0.008 |
RMSD bond angle | 1.782 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.000 | 3.030 |
High resolution limit [Å] | 2.850 | 2.850 |
Number of reflections | 10684 | 1700 |
<I/σ(I)> | 12.2 | |
Completeness [%] | 99.6 | |
Redundancy | 14 | |
CC(1/2) | 0.990 | 0.760 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | MES pH6 100mM, PEG6K 22%, Formamide 6%, ZnCl2 5-15mM |