Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-17 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 101.880, 101.880, 170.181 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.720 - 2.600 |
R-factor | 0.208 |
Rwork | 0.205 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w50 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.669 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.200 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.106 | |
Number of reflections | 16771 | |
<I/σ(I)> | 21.3 | 3.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.1 | 10.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 293 | 22% PEG 5K MME 150MM AMMONIUM IODIDE AND 200MM SODIUM CITRATE PH6.4 , VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |