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 | 2005-03-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97945 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.822, 131.089, 169.988 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.426 - 2.327 |
R-factor | 0.2028 |
Rwork | 0.201 |
R-free | 0.23450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1OP3 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.748 |
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 | 2.370 |
High resolution limit [Å] | 2.327 | 2.327 |
Rmerge | 0.053 | 0.419 |
Number of reflections | 43875 | 2158 |
<I/σ(I)> | 45.1 | 3.7 |
Completeness [%] | 99.5 | 98.1 |
Redundancy | 6.7 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 295 | 20% Peg 4000, 0.2M sodium tartrate |