5CLH
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H59N 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 | 2005-09-18 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 99.329, 99.329, 164.071 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.118 - 1.750 |
| R-factor | 0.1405 |
| Rwork | 0.139 |
| R-free | 0.16170 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4ycb chain A |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.187 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 38755 | |
| <I/σ(I)> | 30.5 | 3.4 |
| Completeness [%] | 92.9 | 73.1 |
| Redundancy | 6.2 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | .2 M lithium sulfate, 0.1 M Tris, 30% (w/v) PEG 4000 |
