6P3C
E. coli fumarase mutant - T187A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-03-24 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 104.065, 218.448, 86.649 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.501 - 1.459 |
R-factor | 0.1634 |
Rwork | 0.162 |
R-free | 0.18210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6nzc |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.15_3459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.511 |
High resolution limit [Å] | 1.459 | 1.459 |
Rmerge | 0.082 | 0.996 |
Rmeas | 0.085 | 1.033 |
Rpim | 0.023 | 0.271 |
Number of reflections | 170661 | 16898 |
<I/σ(I)> | 17.8 | 2.4 |
Completeness [%] | 100.0 | 99.99 |
Redundancy | 14.3 | 14.4 |
CC(1/2) | 0.999 | 0.861 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 298 | PEG 3350 |