5CLI
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) from the acidophilic bacterium Acetobacter aceti, complexed with AIR (5-aminoimidazole ribonucleotide)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 111 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-02 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 99.199, 99.199, 164.389 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.459 - 1.948 |
| R-factor | 0.1369 |
| Rwork | 0.136 |
| R-free | 0.17340 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1u11 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.177 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.020 |
| High resolution limit [Å] | 1.948 | 1.950 |
| Rmerge | 0.494 | |
| Number of reflections | 30063 | |
| <I/σ(I)> | 23.4 | 3.6 |
| Completeness [%] | 99.2 | 97.1 |
| Redundancy | 5.6 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.2M lithium sulfate, 0.1M Tris, 30% (w/v) PEG 4000 (soaked at pH 7) |
