Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-08 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 28.740, 76.133, 39.402 |
Unit cell angles | 90.00, 104.34, 90.00 |
Refinement procedure
Resolution | 19.560 - 1.800 |
R-factor | 0.197 |
Rwork | 0.194 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.646 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.056 | 0.222 |
Number of reflections | 15218 | |
<I/σ(I)> | 17.8 | 4.9 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 3.6 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 300 | 0.1M CACODYLATE BUFFER PH6.5, 16% PEG 8000, 0.23M ZINC ACETATE , VAPOR DIFFUSION, HANGING DROP, temperature 300K |