6KEY
Structural basis for the regulation of inducible nitric oxide synthase (iNOS) by the SPRY domain-containing SOCS box protein 2 (SPSB2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9778 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.240, 64.080, 70.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.240 |
| R-factor | 0.1853 |
| Rwork | 0.184 |
| R-free | 0.20430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.808 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 64.080 | 64.080 | 1.260 |
| High resolution limit [Å] | 1.240 | 6.650 | 1.240 |
| Rmerge | 0.102 | 0.086 | 0.342 |
| Rmeas | 0.110 | 0.091 | 0.372 |
| Rpim | 0.040 | 0.031 | 0.141 |
| Total number of observations | 346278 | 3025 | 17630 |
| Number of reflections | 52182 | 370 | 2662 |
| <I/σ(I)> | 10 | 19.4 | 4.4 |
| Completeness [%] | 98.4 | 93.6 | 98.7 |
| Redundancy | 6.6 | 8.2 | 6.6 |
| CC(1/2) | 0.995 | 0.995 | 0.939 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M Sodium chloride, 0.1M BIS-TRIS pH5.5, 25% w/v Polyethylene glycol 3350 |
