3E45
Q138F HincII bound to Noncognate DNA (GTGCAC) and Ca2+
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 | 2006-06-30 |
| Wavelength(s) | 0.913321 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.620, 92.200, 66.610 |
| Unit cell angles | 90.00, 105.19, 90.00 |
Refinement procedure
| Resolution | 44.985 - 2.780 |
| R-factor | 0.184 |
| Rwork | 0.179 |
| R-free | 0.27400 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.176 |
| 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 | 2.850 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.105 | 0.353 |
| Number of reflections | 14947 | |
| <I/σ(I)> | 5.1 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | PEG 4000, 150 mM NaCl, 10 mM HEPES pH 7.5, 5 mM CaCl2, 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 | HEPES | ||
| 4 | 1 | 1 | CaCl2 | ||
| 5 | 1 | 2 | PEG 4000 | ||
| 6 | 1 | 2 | NaCl | ||
| 7 | 1 | 2 | HEPES | ||
| 8 | 1 | 2 | CaCl2 |
