Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 287 |
Detector technology | CCD |
Collection date | 2002-11-15 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.933 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 125.555, 87.018, 127.144 |
Unit cell angles | 90.00, 102.77, 90.00 |
Refinement procedure
Resolution | 29.970 - 2.800 |
R-factor | 0.16361 |
Rwork | 0.162 |
R-free | 0.19518 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e2y |
RMSD bond length | 0.015 |
RMSD bond angle | 1.830 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.132 | 0.210 |
Number of reflections | 66025 | |
<I/σ(I)> | 6.44 | |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 3.72 | 3.63 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 100MM EDTA, 15% PEG3350, 10% GLYCEROL, 100MM TRISHCL PH7.5, 100MM DTT, 0.25% DMSO, VAPOR DIFFUSION, HANGING DROP |