3KHD
Crystal Structure of PFF1300w.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | .97920 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 108.749, 94.285, 125.164 |
| Unit cell angles | 90.00, 94.60, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.700 |
| R-factor | 0.264 |
| Rwork | 0.262 |
| R-free | 0.29700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.879 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.102 | 0.823 |
| Number of reflections | 68983 | |
| <I/σ(I)> | 8.3 | 1.57 |
| Completeness [%] | 99.6 | 99.3 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 10 % PEG8k, 0.2 M Tris HCl, 4 mM MgAcetate, 2 mM AMPPNP, 2 mM NaPyruvate, 2 mM TCEP, 25% glycerol cryoprotectant, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
