7R8P
Open form of SAOUHSC_02373 in complex with ADP, Mg2+ and Na+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.258, 70.581, 109.773 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.450 - 1.370 |
R-factor | 0.1915 |
Rwork | 0.190 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2 ideal alpha helices of 10aa |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | Fragon (0.2.4) |
Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.840 | 39.840 | 1.390 |
High resolution limit [Å] | 1.370 | 7.500 | 1.370 |
Rmerge | 0.060 | 0.038 | 1.654 |
Rmeas | 0.062 | 0.040 | 1.728 |
Rpim | 0.017 | 0.011 | 0.495 |
Total number of observations | 1057862 | 6595 | 46612 |
Number of reflections | 79614 | 574 | 3889 |
<I/σ(I)> | 18 | 52.8 | 1.6 |
Completeness [%] | 100.0 | 98.6 | 100 |
Redundancy | 13.3 | 11.5 | 12 |
CC(1/2) | 0.999 | 0.999 | 0.643 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 200 mM sodium acetate trihydrate, 100 mM Tris-HCl pH 8.5, 30% PEG 4000 |