3PUC
Atomic resolution structure of titin domain M7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.82653 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 22.830, 68.570, 24.180 |
| Unit cell angles | 90.00, 100.94, 90.00 |
Refinement procedure
| Resolution | 19.518 - 0.960 |
| R-factor | 0.1164 |
| Rwork | 0.116 |
| R-free | 0.13540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3knb |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.451 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 0.980 |
| High resolution limit [Å] | 0.960 | 4.290 | 0.960 |
| Rmerge | 0.056 | 0.032 | 0.397 |
| Rmeas | 0.037 | 0.468 | |
| Number of reflections | 44303 | 507 | 3260 |
| <I/σ(I)> | 14.38 | 35.9 | 4.1 |
| Completeness [%] | 99.7 | 98.3 | 100 |
| Redundancy | 3.98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1M Tris pH 8.0, 3.2M ammonium sulfate, 1mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
