4H5T
HSC70 NBD with ADP and Mg
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-05-18 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.905, 46.379, 87.711 |
| Unit cell angles | 90.00, 127.20, 90.00 |
Refinement procedure
| Resolution | 48.000 - 1.900 |
| R-factor | 0.23513 |
| Rwork | 0.232 |
| R-free | 0.29833 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bup |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.969 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.055 | 0.500 |
| Number of reflections | 31245 | |
| <I/σ(I)> | 10.1 | 1.2 |
| Completeness [%] | 98.0 | 87 |
| Redundancy | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 298 | 0.1 M TRIS buffer, 1.5M NaCl, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
