3O4S
Crystal Structure of HePTP with a Closed WPD Loop and an Ordered E-Loop
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-23 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.795, 39.130, 83.441 |
| Unit cell angles | 90.00, 124.29, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.16425 |
| Rwork | 0.162 |
| R-free | 0.21214 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2qdm |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.306 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 25241 | |
| <I/σ(I)> | 13.8 | 3.5 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 1.7-1.9M ammonium sulfate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
