2C95
Structure of adenylate kinase 1 in complex with P1,P4-di(adenosine) tetraphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-08-10 |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.535, 69.998, 88.558 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.710 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z83 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.593 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.550 | 1.810 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.090 | 0.220 |
| Number of reflections | 37771 | |
| <I/σ(I)> | 14.51 | 4.06 |
| Completeness [%] | 88.5 | 41.3 |
| Redundancy | 5.3 | 0.93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 3.4 M NAMALONATE 1 MM ZNSO4, pH 7.00 |
