3B43
I-band fragment I65-I70 from titin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-11-03 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 141.430, 141.430, 166.010 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 16.985 - 3.300 |
R-factor | 0.222 |
Rwork | 0.220 |
R-free | 0.26700 |
Structure solution method | MIRAS |
RMSD bond length | 0.006 |
RMSD bond angle | 0.944 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHARP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 17.000 | 3.350 | |
High resolution limit [Å] | 3.300 | 16.000 | 3.300 |
Rmerge | 0.080 | 0.019 | 0.478 |
Number of reflections | 14953 | 25 | 639 |
<I/σ(I)> | 19.6 | 54 | 4.3 |
Completeness [%] | 98.6 | 13.8 | 97.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 298 | pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K |