3NF4
Crystal structure of acyl-CoA dehydrogenase from Mycobacterium thermoresistibile bound to flavin adenine dinucleotide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 95.650, 99.230, 171.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.690 - 2.350 |
R-factor | 0.194 |
Rwork | 0.191 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dvl molecule a |
RMSD bond length | 0.016 |
RMSD bond angle | 1.453 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.410 | |
High resolution limit [Å] | 2.350 | 10.510 | 2.350 |
Rmerge | 0.063 | 0.036 | 0.339 |
Number of reflections | 33958 | 372 | 2426 |
<I/σ(I)> | 22.1 | 40.2 | 6.6 |
Completeness [%] | 98.8 | 82.9 | 96.9 |
Redundancy | 8.6 | 8.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 289 | 69.7 mg/mL protein against PACT screen condition e11, 0.2 M Na Citrate, 20% PEG 3350 with 20% ethylene glycol as cryo-protectant, crystal tracking ID 215726e11, VAPOR DIFFUSION, SITTING DROP, temperature 289K |