2FW6
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) mutant H59N from the acidophilic bacterium Acetobacter aceti, at pH 5.4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 111 |
Detector technology | IMAGE PLATE |
Collection date | 2005-07-27 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 98.595, 98.595, 165.532 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.350 - 1.850 |
R-factor | 0.172 |
Rwork | 0.172 |
R-free | 0.18500 |
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 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 33762 | |
<I/σ(I)> | 36 | 3.5 |
Completeness [%] | 95.9 | 80.3 |
Redundancy | 8.8 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 298 | 21% (w/v) PEG 4000 190 mM ammonium acetate 90 mM sodium citrate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |