3ZTR
Hexagonal form P6122 of the Aquifex aeolicus nucleoside diphosphate kinase (FIRST STAGE OF RADIATION DAMAGE)
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 2 2 |
| Unit cell lengths | 200.710, 200.710, 246.731 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.444 - 2.300 |
| R-factor | 0.1929 |
| Rwork | 0.192 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zto |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.214 |
| 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] | 52.440 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.140 | 0.350 |
| Number of reflections | 221854 | |
| <I/σ(I)> | 8 | 3.6 |
| Completeness [%] | 92.0 | 93.4 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 25% PEG 3350, 0.2 M NACL, 0.1 M BIS-TRIS PH 5.5. |
