Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX10.1 |
Synchrotron site | SRS |
Beamline | PX10.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | H 3 |
Unit cell lengths | 89.552, 89.552, 287.678 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.160 - 1.600 |
R-factor | 0.1696 |
Rwork | 0.168 |
R-free | 0.21074 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oe1 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.836 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.100 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.070 | 0.330 |
Number of reflections | 106504 | |
<I/σ(I)> | 12 | 2.1 |
Completeness [%] | 93.8 | 60.6 |
Redundancy | 2.9 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | PEG 550 MME, ZNSO4, MES PH 6.5. |