Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9537 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 144.646, 148.319, 54.604 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.394 - 1.999 |
R-factor | 0.2078 |
Rwork | 0.206 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1OP3 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.565 |
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] | 30.000 | 2.030 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.085 | 0.576 |
Number of reflections | 37831 | 1745 |
<I/σ(I)> | 16.4 | 2.35 |
Completeness [%] | 94.3 | 88 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 295 | 27% Peg 4000, 0.05M sodium acetate |