Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00632 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.359, 114.886, 174.626 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.1622 |
Rwork | 0.159 |
R-free | 0.19390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1MWV |
RMSD bond length | 0.023 |
RMSD bond angle | 2.004 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 95.980 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.506 | |
Number of reflections | 120518 | |
<I/σ(I)> | 7.6 | |
Completeness [%] | 98.0 | 99.9 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16-20% MPD, pH 5.6 0.1 M sodium citrate |