4I8T
C.Esp1396I bound to a 19 base pair DNA duplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979493 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.510, 60.860, 80.350 |
| Unit cell angles | 90.00, 113.47, 90.00 |
Refinement procedure
| Resolution | 44.434 - 3.000 |
| R-factor | 0.2412 |
| Rwork | 0.238 |
| R-free | 0.29340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g5g |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.737 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.1.26) |
| Phasing software | PHASER (2.5.1) |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.702 | 3.210 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.180 | 0.013 |
| Number of reflections | 6809 | |
| <I/σ(I)> | 5.9 | 0.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 0.1 M PCTP buffer, 25 % w/v PEG 1500, 10 mM Spermidine, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
