3ZX3
Crystal Structure and Domain Rotation of NTPDase1 CD39
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 163.133, 81.136, 165.465 |
| Unit cell angles | 90.00, 117.61, 90.00 |
Refinement procedure
| Resolution | 146.620 - 1.700 |
| R-factor | 0.17683 |
| Rwork | 0.176 |
| R-free | 0.23308 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cj1 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.550 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.060 | 0.540 |
| Number of reflections | 151721 | |
| <I/σ(I)> | 13.8 | 2.4 |
| Completeness [%] | 72.4 | 7.7 |
| Redundancy | 5.6 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 3.6 M NACL, 100 MM NAAC PH 4.5. |
