3ZTQ
Hexagonal crystal form P61 of the Aquifex aeolicus nucleoside diphosphate kinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-22 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 61 |
| Unit cell lengths | 116.360, 116.360, 247.320 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.088 - 2.100 |
| R-factor | 0.171 |
| Rwork | 0.170 |
| R-free | 0.19930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zto |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.103 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.090 | 0.230 |
| Number of reflections | 107031 | |
| <I/σ(I)> | 6.3 | 3.4 |
| Completeness [%] | 97.2 | 98.9 |
| Redundancy | 2.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 2 M MAGNESIUM CHLORIDE, 0.1 M BICINE PH 9 |
