4H5V
HSC70 NBD with 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 | 2008-02-04 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 76.741, 102.175, 54.524 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.078 - 1.750 |
| R-factor | 0.18336 |
| Rwork | 0.182 |
| R-free | 0.21542 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bup |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.117 |
| 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 | 1.790 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.051 | 0.650 |
| Number of reflections | 41418 | |
| <I/σ(I)> | 50 | 2.2 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 0.1 M ammonium sulfate (AS) in 0.1 M MES buffer, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
