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 |