Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-07-05 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.789, 110.753, 73.034 |
Unit cell angles | 90.00, 109.86, 90.00 |
Refinement procedure
Resolution | 69.010 - 2.500 |
R-factor | 0.223 |
Rwork | 0.220 |
R-free | 0.27500 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.341 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.140 | 0.270 |
Number of reflections | 33042 | |
<I/σ(I)> | 0.14 | 2.8 |
Completeness [%] | 99.0 | 99.3 |
Redundancy | 4.4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 287 | PEG 2000, LITHIUM CHLORIDE, DTT, REMARK 280 MES, PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 287.0 K |