Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.450, 99.020, 59.583 |
Unit cell angles | 90.00, 108.54, 90.00 |
Refinement procedure
Resolution | 49.560 - 1.350 |
R-factor | 0.1187 |
Rwork | 0.117 |
R-free | 0.15700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f9f |
RMSD bond length | 0.009 |
RMSD bond angle | 1.561 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.370 |
High resolution limit [Å] | 1.350 | 3.660 | 1.350 |
Rmerge | 0.047 | 0.019 | 1.089 |
Rmeas | 0.051 | 0.020 | 1.231 |
Rpim | 0.020 | 0.008 | 0.553 |
Total number of observations | 843693 | ||
Number of reflections | 131802 | 6800 | 5755 |
<I/σ(I)> | 11.4 | ||
Completeness [%] | 98.7 | 99.9 | 86.8 |
Redundancy | 6.4 | 6.7 | 4.1 |
CC(1/2) | 0.999 | 0.517 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 291 | 10mM Tris, 1mM EDTA, 1mM DTT |