4CX6
Structure of rat neuronal nitric oxide synthase H341L mutant heme domain in complex with 6-((((3S, 5R)-5-(((6-AMINO-4-METHYLPYRIDIN-2- YL)METHOXY)METHYL)PYRROLIDIN-3-YL)OXY)METHYL)-4-METHYLPYRIDIN-2-AMINE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-08 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.982, 110.707, 164.386 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.740 - 1.900 |
R-factor | 0.18617 |
Rwork | 0.185 |
R-free | 0.21650 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.332 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.060 | 0.710 |
Number of reflections | 75577 | |
<I/σ(I)> | 25.9 | 2.4 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.8 | 20-22% PEG3350 0.1 MES PH 5.8 140-200MM AMMONIUM ACETATE 10% ETHYLENE GLYCOL 35UM SDS 5MM GSH |