2ORS
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-08-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.581, 74.857, 93.775 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.260 - 2.000 |
Rwork | 0.210 |
R-free | 0.23700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | BX04 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.800 |
Data reduction software | X-GEN |
Data scaling software | X-GEN |
Phasing software | X-PLOR |
Refinement software | CNX (2005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.260 | 2.130 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 29963 | |
<I/σ(I)> | 15.3 | 1.9 |
Completeness [%] | 96.9 | 84.1 |
Redundancy | 3.07 | 2.57 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 308 | CRYSTALS OF MURINE DELTA114 INOS WERE PREPARED IN THE PRESENCE OF IMIDAZOLE FOLLOWING THE PROCEDURES OF CRANE ET AL. (REFERENCE 3) AS FOLLOWS: THE 6 UL CRYSTALLIZATION DROPS CONTAINED 20 MG/ML MURINE DELTA114 INOS, 20 MM HEPES PH 7.6, 5 % GLYCEROL, 0.5 MM DTT, 6.8 % PEG-3350, 60 MM NA2SO3, AND 50 MM IMIDAZOLE/ MALATE BUFFER PH 4.7 WERE PLACED OVER A 1 ML RESERVOIR CONTAINING 13.6 % PEG-3350, 120 MM NA2SO3, AND 100 MM IMIDAZOLE/MALATE BUFFER PH 4.7. THESE CRYSTALS WERE SOAKED FOR 25 HOURS IN 5 UM 4-(Benzo[1,3]dioxol-5-yloxy)- 2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine, 14 % PEG-3350, 1 MM NAN3, 50 MM MES PH 6.5 AND 50 MM NA2SO3. THE, pH 4.70, VAPOR DIFFUSION, HANGING DROP, temperature 308K |