2FW1
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) from the acidophilic bacterium Acetobacter aceti, at pH 8.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 111 |
Detector technology | IMAGE PLATE |
Collection date | 2005-08-13 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 99.430, 99.430, 164.168 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.520 - 2.000 |
R-factor | 0.168 |
Rwork | 0.167 |
R-free | 0.18400 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 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] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 28092 | |
<I/σ(I)> | 27 | 4.8 |
Completeness [%] | 99.4 | 98.6 |
Redundancy | 5.5 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2M lithium sulfate, 0.1M Tris pH 8.5, 30% (w/v) PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |