Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-07-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.886, 131.787, 170.273 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.403 - 2.503 |
R-factor | 0.2465 |
Rwork | 0.245 |
R-free | 0.27990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1OM3 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.621 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.085 | 0.375 |
Number of reflections | 32006 | 1150 |
<I/σ(I)> | 23.6 | 2.5 |
Completeness [%] | 89.3 | 50.1 |
Redundancy | 4.8 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 295 | 1.6M sodium/potassium phosphate |