7R8Q
Closed form of SAOUHSC_02373 in complex with ADP, citrate, Mg2+ and Na+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 145.868, 82.812, 107.782 |
Unit cell angles | 90.00, 131.06, 90.00 |
Refinement procedure
Resolution | 36.890 - 2.000 |
R-factor | 0.1928 |
Rwork | 0.191 |
R-free | 0.21990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7r8p |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.890 | 36.890 | 2.050 |
High resolution limit [Å] | 2.000 | 9.170 | 2.000 |
Rmerge | 0.137 | 0.049 | 1.492 |
Rmeas | 0.148 | 0.053 | 1.621 |
Rpim | 0.056 | 0.020 | 0.628 |
Total number of observations | 4640 | 29453 | |
Number of reflections | 64488 | 702 | 4467 |
<I/σ(I)> | 9 | 27.8 | 1.5 |
Completeness [%] | 98.7 | 98.2 | 97.9 |
Redundancy | 7 | 6.6 | 6.6 |
CC(1/2) | 0.997 | 0.998 | 0.645 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 1.6 M sodium citrate tribasic dihydrate pH 6.5 |