3NIE
Crystal Structure of PF11_0147
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-18 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.388, 107.355, 70.787 |
| Unit cell angles | 90.00, 109.65, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.2254 |
| Rwork | 0.223 |
| R-free | 0.26810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n9x |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.280 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
| Rmerge | 0.050 | 0.028 | 0.338 |
| Number of reflections | 37818 | ||
| <I/σ(I)> | 7.2 | ||
| Completeness [%] | 95.4 | 98.6 | 85.7 |
| Redundancy | 3.7 | 3.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 22% PEG 3350, 0.175 M disodium tartrate, 2 mM AMPPNP, 4 mM MgCl2, 2 mM TCEP, 20% glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
