6IHE
Crystal structure of Malate dehydrogenase from Metallosphaera sedula
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-12-17 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 134.194, 134.194, 81.940 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.900 |
R-factor | 0.1938 |
Rwork | 0.192 |
R-free | 0.22580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.977 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmerge | 0.071 | 0.052 | 0.333 |
Rmeas | 0.076 | 0.055 | 0.373 |
Rpim | 0.025 | 0.018 | 0.162 |
Number of reflections | 65061 | 3477 | 3232 |
<I/σ(I)> | 11.9 | ||
Completeness [%] | 96.7 | 98 | 97.4 |
Redundancy | 6.8 | 9.1 | 4.4 |
CC(1/2) | 0.996 | 0.754 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 40 % (v/v) polyethylene glycol (PEG) 300, 0.1 M CHES / sodium hydroxide pH 9.5, 0.2 M sodium chloride |