4RXJ
crystal structure of WHSC1L1-PWWP2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-20 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 79.357, 99.476, 41.552 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.520 - 2.100 |
| R-factor | 0.2315 |
| Rwork | 0.230 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2daq |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.484 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.520 | 34.520 | 2.160 |
| High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
| Rmerge | 0.070 | 0.026 | 0.633 |
| Total number of observations | 845 | 5621 | |
| Number of reflections | 9973 | ||
| <I/σ(I)> | 18.6 | 59 | 3 |
| Completeness [%] | 100.0 | 99 | 100 |
| Redundancy | 6.9 | 5.3 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 3.5 | 293 | 25% w/v PEG3350, 10% citric acid, pH 3.5, vapor diffusion, temperature 293K, VAPOR DIFFUSION |
