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 |