5Z3W
Malate dehydrogenase binds silver at C113
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 | 2017-11-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97914 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.648, 124.564, 85.503 |
Unit cell angles | 90.00, 107.10, 90.00 |
Refinement procedure
Resolution | 53.565 - 2.290 |
R-factor | 0.1973 |
Rwork | 0.196 |
R-free | 0.22920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ib6 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.576 |
Data reduction software | XDS (2017-11) |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12-2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 124.560 | 124.560 | 2.400 |
High resolution limit [Å] | 2.290 | 7.810 | 2.290 |
Rmerge | 0.098 | 0.055 | 0.165 |
Rmeas | 0.107 | 0.060 | 0.179 |
Rpim | 0.042 | 0.023 | 0.101 |
Number of reflections | 50974 | 1351 | 6186 |
<I/σ(I)> | 12.6 | ||
Completeness [%] | 87.4 | 99.2 | 97.6 |
Redundancy | 6.5 | 6.5 | 5.9 |
CC(1/2) | 0.997 | 0.997 | 0.986 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | Tris-HCl 0.1M pH 8.5, MgCl2 0.1M, PEG3350 22% |