3SR0
Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: ADP/AlF4/AMP in the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97390 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.950, 69.580, 85.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.786 - 1.565 |
| R-factor | 0.1496 |
| Rwork | 0.148 |
| R-free | 0.18850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.515 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_794)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.790 | 1.610 |
| High resolution limit [Å] | 1.565 | 1.565 |
| Rmerge | 0.085 | 0.310 |
| Number of reflections | 56098 | |
| <I/σ(I)> | 3.7 | |
| Completeness [%] | 99.7 | 98.3 |
| Redundancy | 6.36 | 4.75 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 298 | 0.1M Sodium Acetate trihydrate pH 5.4, 0.2M Ammonium Acetate, 30% w/v Polyethylene Glycol 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
