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 |