2PTQ
Crystal structure of Escherichia coli adenylosuccinate lyase mutant H171N with bound AMP and fumarate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-04-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 99.131, 143.435, 69.483 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 2.000 |
Rwork | 0.175 |
R-free | 0.21100 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2007-May-08.deposit.rcsb.org.80.Session.20619 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.230 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.090 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 67637 | |
<I/σ(I)> | 19.9 | 7.4 |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 8.56 | 8.38 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | Tris-HCl, sodium acetate tri-hydrate, PEG-4000, glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |