1DP8
CRYSTAL STRUCTURE OF THE NITRIC OXIDE BOUND FIXL HEME DOMAIN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Spacegroup name | H 3 2 |
Unit cell lengths | 127.148, 127.148, 58.249 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.205 |
Rwork | 0.205 |
R-free | 0.25200 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.780 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.059 | 0.293 |
Total number of observations | 45555 * | |
Number of reflections | 6138 | |
Completeness [%] | 97.0 | 92.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.5 | 4 * | W, Gong, (1998) Proc.Natl.Acad.Sci.USA, 95, 15177. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | 4.5 (M) | ||
2 | 1 | reservoir | MPD | 5 (%(v/v)) | |
3 | 1 | reservoir | HEPES | 0.1 (M) |