3UC7
Trp-cage cyclo-TC1 - monoclinic crystal form
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 | 2009-01-03 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.82 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 57.697, 48.748, 35.259 |
| Unit cell angles | 90.00, 116.91, 90.00 |
Refinement procedure
| Resolution | 35.390 - 1.100 |
| R-factor | 0.1514 |
| Rwork | 0.149 |
| R-free | 0.19370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ll5 |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.402 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.030 |
| High resolution limit [Å] | 0.990 | 2.130 | 0.990 |
| Rmerge | 0.089 | 0.068 | |
| Number of reflections | 39329 | ||
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 81.3 | 99.6 | 31.1 |
| Redundancy | 11.4 | 13.3 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 2.5 | 298 | 0.2 M Tris-HCl, 0.2 M magnesium chloride, 2.0 M sodium chloride, pH 2.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
