3E42
Q138F HincII bound to GTCGAC and Ca2+ (cocrystallized)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Collection date | 2007-07-01 |
| Wavelength(s) | 0.94219 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.030, 90.140, 66.440 |
| Unit cell angles | 90.00, 104.40, 90.00 |
Refinement procedure
| Resolution | 48.458 - 2.680 |
| R-factor | 0.192 |
| Rwork | 0.188 |
| R-free | 0.28300 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.217 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.680 | 2.680 |
| Rmerge | 0.048 | 0.373 |
| Number of reflections | 15869 | |
| <I/σ(I)> | 12.4 | 2 |
| Completeness [%] | 98.5 | 97.9 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | 20% PEG 4000, 150 mM NaCl, 5 mM CaCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 4000 | ||
| 2 | 1 | 1 | NaCl | ||
| 3 | 1 | 1 | CaCl2 | ||
| 4 | 1 | 2 | PEG 4000 | ||
| 5 | 1 | 2 | NaCl | ||
| 6 | 1 | 2 | CaCl2 |
