3MCR
Crystal structure of NADH dehydrogenase subunit C (Tfu_2693) from THERMOBIFIDA FUSCA YX-ER1 at 2.65 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-10 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 69.264, 69.264, 114.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.970 - 2.650 |
R-factor | 0.21 |
Rwork | 0.207 |
R-free | 0.25900 |
Structure solution method | MR |
Starting model (for MR) | 2fug |
RMSD bond length | 0.009 |
RMSD bond angle | 1.410 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.970 | 48.970 | 2.740 |
High resolution limit [Å] | 2.650 | 5.670 | 2.650 |
Rmerge | 0.048 | 0.022 | 0.810 |
Number of reflections | 8611 | 986 | 794 |
<I/σ(I)> | 25.89 | 60.7 | 2.1 |
Completeness [%] | 99.8 | 99.1 | 100 |
Redundancy | 6.95 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 1.0000M 1,6-Hexanediol, 0.0100M CoCl2, 0.1M Acetate pH 4.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |