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 |