4H5N
HSC70 NBD with PO4, Na, Cl
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-08-23 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 133.802, 101.693, 77.421 |
| Unit cell angles | 90.00, 119.28, 90.00 |
Refinement procedure
| Resolution | 48.000 - 1.860 |
| R-factor | 0.19325 |
| Rwork | 0.190 |
| R-free | 0.24751 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bup |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.618 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 1.900 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.083 | 0.510 |
| Number of reflections | 62313 | |
| <I/σ(I)> | 10.1 | 2.2 |
| Completeness [%] | 89.0 | 77 |
| Redundancy | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1 M KCl in Tris, 30%PEG 400, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
