7X4E
Structure of 10635-DndE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-21 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.978 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 69.732, 69.732, 106.022 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.340 - 2.320 |
R-factor | 0.2079 |
Rwork | 0.206 |
R-free | 0.24860 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.613 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.390 |
High resolution limit [Å] | 2.310 | 4.980 | 2.310 |
Rmerge | 0.458 | 0.144 | 7.931 |
Rmeas | 0.465 | 0.147 | 8.074 |
Rpim | 0.088 | 0.026 | 1.496 |
Total number of observations | 245237 | ||
Number of reflections | 7069 | 809 | 677 |
<I/σ(I)> | 2.6 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 34.7 | 32.3 | 29 |
CC(1/2) | 0.985 | 0.760 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 20% PEG 3350, 0.2 M Lithium acetate dihydrate |