4ZBP
Crystal structure of the AMPCPR-bound AtNUDT7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-15 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9789 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 48.202, 258.720, 157.548 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.600 |
| R-factor | 0.2405 |
| Rwork | 0.238 |
| R-free | 0.28978 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zb3 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 40.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 5.600 | 2.600 |
| Rmerge | 0.050 | 0.025 | 0.487 |
| Total number of observations | 113718 | ||
| Number of reflections | 30194 | ||
| <I/σ(I)> | 15.8 | ||
| Completeness [%] | 96.5 | 92.2 | 98.3 |
| Redundancy | 3.8 | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M NaCl, 0.1 M HEPES, 1.6 M ammonium sulfate |
