3IIK
The structure of hCINAP-SO4 complex at 1.95 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 | 2007-11-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.04498 |
| Spacegroup name | P 61 |
| Unit cell lengths | 98.670, 98.670, 57.650 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.890 - 1.950 |
| R-factor | 0.18107 |
| Rwork | 0.180 |
| R-free | 0.20559 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rkb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.113 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.400 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 23444 | |
| <I/σ(I)> | 25.8 | 4.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8 | 8 |
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, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
