6EB3
Structural and enzymatic characterization of an esterase from a metagenomic library
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-03-14 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.650, 105.950, 145.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.870 - 2.350 |
| R-factor | 0.1949 |
| Rwork | 0.193 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xua |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.549 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.100 | |
| Rpim | 0.040 | 0.400 |
| Number of reflections | 50655 | |
| <I/σ(I)> | 13.4 | 2.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.7 | 5.9 |
| CC(1/2) | 0.770 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 Bis-Tris, pH 6.5, 0.1 M NaCl, 1.3 M (NH4)2SO4 |
