3BNE
Lipoxygenase-1 (Soybean) I553A Mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-09-10 |
Detector | SBC-3 |
Wavelength(s) | 0.97921 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 94.115, 92.951, 49.416 |
Unit cell angles | 90.00, 90.76, 90.00 |
Refinement procedure
Resolution | 29.720 - 1.400 |
R-factor | 0.16655 |
Rwork | 0.166 |
R-free | 0.18603 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1f8n |
RMSD bond length | 0.015 |
RMSD bond angle | 1.547 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0009) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.400 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.050 | 0.574 |
Number of reflections | 164852 | |
<I/σ(I)> | 25.9 | 1.9 |
Completeness [%] | 99.5 | 94.6 |
Redundancy | 4.1 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | PEG 3350, sodium acetate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |