3IIJ
The structure of hCINAP-ADP complex at 1.76 angstroms resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.11665 |
| Spacegroup name | P 61 |
| Unit cell lengths | 99.144, 99.144, 57.838 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.300 - 1.760 |
| R-factor | 0.18193 |
| Rwork | 0.181 |
| R-free | 0.19509 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rkb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.128 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.790 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Number of reflections | 31610 | |
| <I/σ(I)> | 17.92 | 3.41 |
| Completeness [%] | 98.1 | 88.4 |
| Redundancy | 4.9 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5, 1.5 M Li2SO4, 0.2 M NaCl, 0.5 mM DTT, 25 mM MgCl2, 2 mM ADP, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
