3V6I
Crystal structure of the peripheral stalk of Thermus thermophilus H+-ATPase/synthase at 2.25 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-09-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9393 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 102.510, 208.690, 36.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.670 - 2.250 |
R-factor | 0.2252 |
Rwork | 0.223 |
R-free | 0.26290 |
Structure solution method | MIRAS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.224 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | SHARP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.670 | 19.666 | 2.370 |
High resolution limit [Å] | 2.240 | 7.120 | 2.250 |
Rmerge | 0.015 | 0.533 | |
Rmeas | 0.019 | 0.669 | |
Rpim | 0.011 | 0.396 | |
Total number of observations | 2774 | 13911 | |
Number of reflections | 37768 | ||
<I/σ(I)> | 10.7 | 33.9 | 2.1 |
Completeness [%] | 97.2 | 84.4 | 98.7 |
Redundancy | 2.5 | 2.4 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100mM HEPES (pH 7.5), 200mM Calcium acetate, 40% (v/v) PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 293K |