2FWB
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H89F from the acidophilic bacterium Acetobacter aceti, at pH 8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 111 |
Detector technology | IMAGE PLATE |
Collection date | 2005-11-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 99.668, 99.668, 163.906 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.430 - 2.000 |
R-factor | 0.178 |
Rwork | 0.178 |
R-free | 0.20600 |
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] | 40.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 27131 | |
<I/σ(I)> | 16.6 | 2.8 |
Completeness [%] | 95.8 | 97 |
Redundancy | 3.9 | 3.4 |
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, VAPOR DIFFUSION, HANGING DROP, temperature 298K |