3QYJ
Crystal structure of ALR0039, a putative alpha/beta hydrolase from Nostoc sp PCC 7120.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-05-08 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.542, 88.196, 83.588 |
| Unit cell angles | 90.00, 93.09, 90.00 |
Refinement procedure
| Resolution | 19.860 - 1.778 |
| R-factor | 0.14958 |
| Rwork | 0.149 |
| R-free | 0.17909 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y37 |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.840 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.810 |
| High resolution limit [Å] | 1.778 | 1.778 |
| Rmerge | 0.037 | 0.258 |
| Number of reflections | 60343 | |
| <I/σ(I)> | 42.8 | 6.3 |
| Completeness [%] | 97.4 | 94.5 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | VAPOR DIFFUSION, SITTING DROP, temperature 298K |
