2HX2
Bovine eNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL1-5 |
Synchrotron site | SSRL |
Beamline | BL1-5 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-12-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9998 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.820, 106.850, 156.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.360 - 1.950 |
R-factor | 0.18 |
Rwork | 0.180 |
R-free | 0.21300 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.052 | 0.558 |
Number of reflections | 69992 | |
<I/σ(I)> | 10.2 | 2.2 |
Completeness [%] | 98.5 | 97.1 |
Redundancy | 3.9 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 280 | PEG3350, cacodylate Mg acetate, TCEP, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K |