Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 258.227, 258.227, 204.554 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 3.400 |
R-factor | 0.27336 |
Rwork | 0.273 |
R-free | 0.32422 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2r6f |
RMSD bond length | 0.016 |
RMSD bond angle | 1.761 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.580 |
High resolution limit [Å] | 3.400 | 3.400 |
Rmerge | 0.090 | 0.430 |
Number of reflections | 106710 | |
<I/σ(I)> | 8.2 | 2 |
Completeness [%] | 98.9 | 100 |
Redundancy | 2.4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 1.5 M AMMONIUM SULFATE, 0.1 M HEPES PH 7.5, 1 MM YTTRIUM CHLORIDE. |