Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-01-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.88 |
Spacegroup name | P 63 |
Unit cell lengths | 90.337, 90.337, 76.650 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.441 - 1.400 |
Rwork | 0.131 |
R-free | 0.17830 |
Structure solution method | MIRAS |
RMSD bond length | 0.015 |
RMSD bond angle | 1.793 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHARP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.400 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.064 | 0.670 |
Rmeas | 0.069 | 0.850 |
Number of reflections | 68251 | 9588 |
<I/σ(I)> | 6.1 | 1.1 |
Completeness [%] | 99.1 | 94.1 |
Redundancy | 5.4 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1M MES pH 6.0, 1.4-1.6M MgSO4 |