3EH8
Crystal structure of Y2 I-AniI variant (F13Y/S111Y)/DNA complex with calcium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Detector technology | CCD |
| Collection date | 2008-06-26 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 107.555, 192.603, 161.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.140 - 2.700 |
| R-factor | 0.20057 |
| Rwork | 0.198 |
| R-free | 0.25316 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p8k |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.591 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.140 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.068 | 0.473 |
| Number of reflections | 44303 | |
| <I/σ(I)> | 28.8 | 3.25 |
| Completeness [%] | 95.7 | 93.4 |
| Redundancy | 9.9 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 303 | 32% Polypropylene glycol P400, 0.08M Bis-Tris, 0.25M sodium chloride, 0.05M calucium chloride, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 303K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Polypropylene glycol P400 | ||
| 2 | 1 | 1 | Bis-Tris | ||
| 3 | 1 | 1 | sodium chloride | ||
| 4 | 1 | 1 | calucium chloride | ||
| 5 | 1 | 2 | Polypropylene glycol P400 | ||
| 6 | 1 | 2 | Bis-Tris | ||
| 7 | 1 | 2 | sodium chloride | ||
| 8 | 1 | 2 | calucium chloride |
