3ZTO
Orthorhombic crystal form C222 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 | C 2 2 2 |
| Unit cell lengths | 43.130, 101.060, 62.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.763 - 1.470 |
| R-factor | 0.1522 |
| Rwork | 0.151 |
| R-free | 0.18060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nlk |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.216 |
| 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] | 15.540 | 1.550 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.070 | 0.390 |
| Number of reflections | 23200 | |
| <I/σ(I)> | 9.4 | 2.4 |
| Completeness [%] | 99.0 | 98.1 |
| Redundancy | 3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 25% PEG 3350, 0.2 M LISO4, 0.1 M BIS-TRIS PH 5.5. |
