3HPQ
Crystal structure of wild-type adenylate kinase from E. coli, in complex with Ap5A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-01 |
| Detector | MACSCIENCE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 83.646, 72.639, 78.699 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.999 - 2.000 |
| R-factor | 0.204 |
| Rwork | 0.199 |
| R-free | 0.24540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ake |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.511 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.046 | 0.159 |
| Number of reflections | 36651 | |
| <I/σ(I)> | 47.55 | 9.06 |
| Completeness [%] | 98.2 | 82.8 |
| Redundancy | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 45 mg/ml AK in 50 mM MES pH 6.7, 1 mM EDTA, with 50% 50mM MES pH 7.0-7.3, 3% w/v PEG 2000 and 1.8-2.3 Ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
