4RAU
crystal structure of RTOFab in complex with human PF4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 2.07 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 161.424, 171.873, 208.159 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.740 |
| R-factor | 0.24533 |
| Rwork | 0.243 |
| R-free | 0.28444 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.278 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 4.220 | 3.810 |
| High resolution limit [Å] | 3.740 | 4.130 | 3.750 |
| Rmerge | 0.589 | 0.000 | |
| Number of reflections | 60223 | ||
| <I/σ(I)> | 9 | 2.9 | |
| Completeness [%] | 99.4 | 99.1 | 98.9 |
| Redundancy | 26.5 | 25.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 0.2 M ammonium sulfate, 0.1 M BIS-TRIS, pH 6.5, 25% w/v Polyethylene glycol 3350., VAPOR DIFFUSION, HANGING DROP, temperature 289K |
