5AGO
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 | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-16 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.951, 110.660, 164.563 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.955 - 1.902 |
R-factor | 0.1777 |
Rwork | 0.176 |
R-free | 0.21480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.068 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 1.980 | 1.980 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.080 | 1.500 |
Number of reflections | 75020 | |
<I/σ(I)> | 14.6 | 1.2 |
Completeness [%] | 99.3 | 99.3 |
Redundancy | 5.9 | 5.6 |
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 |