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 |