7C1A
Crystal structure of FumaraseC (S319C) from Mannheimia succiniciproducens in complex with malate
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 | 2019-06-18 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.592, 106.238, 125.317 |
Unit cell angles | 90.00, 94.98, 90.00 |
Refinement procedure
Resolution | 33.120 - 2.144 |
R-factor | 0.1847 |
Rwork | 0.182 |
R-free | 0.23250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yfe |
RMSD bond length | 0.007 |
RMSD bond angle | 1.498 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.190 |
High resolution limit [Å] | 2.140 | 5.830 | 2.150 |
Rmerge | 0.149 | 0.093 | 0.302 |
Rmeas | 0.181 | 0.111 | 0.375 |
Rpim | 0.101 | 0.059 | 0.220 |
Number of reflections | 86681 | 4526 | 4212 |
<I/σ(I)> | 8.3 | ||
Completeness [%] | 97.1 | 98.9 | 95.4 |
Redundancy | 2.8 | 3.3 | 2.5 |
CC(1/2) | 0.985 | 0.689 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 285 | 20% polyethylene glycol 3350, 0.2M Potassium fluoride |