3O4T
Crystal Structure of HePTP with an Open WPD Loop and Partially Depleted Active Site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-06-17 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5400 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.015, 38.995, 83.713 |
| Unit cell angles | 90.00, 124.18, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.20159 |
| Rwork | 0.199 |
| R-free | 0.25270 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3o4s |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.096 |
| 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] | 20.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 8972 | |
| <I/σ(I)> | 11.4 | 3.7 |
| Completeness [%] | 90.3 | 86.9 |
| Redundancy | 2.3 | 2 |
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 |
