3E40
Q138F HincII bound to GTTAAC and cocrystallized with 5 mM 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 | 2006-07-01 |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.330, 91.630, 66.150 |
| Unit cell angles | 90.00, 104.77, 90.00 |
Refinement procedure
| Resolution | 44.595 - 2.100 |
| R-factor | 0.172 |
| Rwork | 0.169 |
| R-free | 0.23200 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.203 |
| 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 | |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.081 | 0.329 |
| Number of reflections | 33581 | |
| <I/σ(I)> | 5.6 | 2 |
| Completeness [%] | 99.1 | 98.7 |
| Redundancy | 3.8 |
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 | ||
| 10 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | NaCl | ||
| 3 | 1 | 1 | HEPES | ||
| 4 | 1 | 1 | CaCl2 | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | PEG 4000 | ||
| 7 | 1 | 2 | NaCl | ||
| 8 | 1 | 2 | HEPES | ||
| 9 | 1 | 2 | CaCl2 |
