Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-07-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.984 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.725, 94.034, 169.187 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.300 - 1.747 |
R-factor | 0.2081 |
Rwork | 0.206 |
R-free | 0.23780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1OM3 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.006 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.780 |
High resolution limit [Å] | 1.747 | 1.747 |
Rmerge | 0.051 | 0.405 |
Number of reflections | 126361 | 4479 |
<I/σ(I)> | 41.9 | 2.4 |
Completeness [%] | 95.6 | 68.4 |
Redundancy | 5.1 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 2M Sodium/Potassium Phosphate |