5AGP
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 12.3.1 |
Synchrotron site | ALS |
Beamline | 12.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-18 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.867, 110.622, 164.205 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 91.910 - 2.100 |
R-factor | 0.19907 |
Rwork | 0.196 |
R-free | 0.25102 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.016 |
RMSD bond angle | 1.796 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.190 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.150 | 0.800 |
Number of reflections | 55632 | |
<I/σ(I)> | 10.7 | 2.3 |
Completeness [%] | 99.1 | 98.9 |
Redundancy | 4.5 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.8 | 20-22% PEG3350, 0.1M MES PH5.8, 140-200 MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5 MM GSH, 30UM SDS |