2X0D
APO structure of WsaF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.987, 75.482, 78.059 |
| Unit cell angles | 90.00, 103.30, 90.00 |
Refinement procedure
| Resolution | 47.140 - 2.280 |
| R-factor | 0.193 |
| Rwork | 0.190 |
| R-free | 0.23900 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.205 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX (AUTOSOLVE) |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.300 | 2.340 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.160 | 0.580 |
| Number of reflections | 39051 | |
| <I/σ(I)> | 14.1 | 3.3 |
| Completeness [%] | 99.9 | 98.9 |
| Redundancy | 14.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 18%(W/V) PEG 3350, 0.22M AMMONIUM CHLORIDE |
