5CLF
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 | 42.524 - 2.000 |
| R-factor | 0.1385 |
| Rwork | 0.137 |
| R-free | 0.16230 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4ycb chain A |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.230 |
| 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] | 42.524 | 2.070 |
| High resolution limit [Å] | 1.799 | 2.000 |
| Rmerge | 0.335 | |
| Number of reflections | 28092 | |
| <I/σ(I)> | 27 | 4.8 |
| Completeness [%] | 99.0 | 98.6 |
| Redundancy | 5.5 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M Tris, 0.2 M lithium sulfate, 30% (w/v) PEG 4000 |
