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 | 2004-11-04 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 107.742, 44.882, 54.231 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.2256 |
Rwork | 0.226 |
R-free | 0.26430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uj1 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.317 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.080 | 0.310 |
Number of reflections | 21035 | |
<I/σ(I)> | 4.6 | 5.9 |
Completeness [%] | 98.2 | 88.2 |
Redundancy | 8 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.1 M MES PH 6.5 AND 0.6 M(NH4)2SO4 |