6TNM
E. coli aerobic trifunctional enzyme subunit-alpha
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-21 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 130.384, 214.113, 76.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.530 - 2.950 |
R-factor | 0.2318 |
Rwork | 0.230 |
R-free | 0.27110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wdk-chainA |
RMSD bond length | 0.002 |
RMSD bond angle | 0.599 |
Data reduction software | xia2 (2) |
Data scaling software | DIALS (1.14) |
Phasing software | MoRDa |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.190 | 3.130 |
High resolution limit [Å] | 2.949 | 2.949 |
Rpim | 0.108 | 0.415 |
Number of reflections | 23039 | 3661 |
<I/σ(I)> | 5.9 | 1.7 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 6.5 | 6.7 |
CC(1/2) | 0.987 | 0.439 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 100 mM Bis-Tris propane, pH 7.5, 25% w/v PEG 3550, 367 mM KNO3 and 25 mM ATP |