4D1O
Structure of human endothelial nitric oxide synthase heme domain with L-Arg bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-15 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.395, 110.091, 153.322 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.392 - 1.819 |
R-factor | 0.1566 |
Rwork | 0.155 |
R-free | 0.19200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nse |
RMSD bond length | 0.007 |
RMSD bond angle | 1.183 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.100 | 1.000 |
Number of reflections | 95342 | |
<I/σ(I)> | 19.9 | 1 |
Completeness [%] | 99.8 | 98.2 |
Redundancy | 4.9 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 10-12% PEG3350, 0.1M BIS TRIS, PH7.5, 0.3M MG ACETATE, 0.1M GDCL3, 5 MM TCEP |