2FWA
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H89N from the acidophilic bacterium Acetobacter aceti, at pH 7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 111 |
Detector technology | IMAGE PLATE |
Collection date | 2005-10-05 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 99.219, 99.219, 164.159 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.310 - 1.900 |
R-factor | 0.188 |
Rwork | 0.188 |
R-free | 0.20700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | PDB model 1U11 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 31276 | |
<I/σ(I)> | 17.2 | 3.9 |
Completeness [%] | 95.9 | 99 |
Redundancy | 4.9 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.2M lithium sulfate 0.1M Tris pH 8 30% (w/v) PEG 4000 (soaked at pH 7), VAPOR DIFFUSION, HANGING DROP, temperature 298K |