4RGY
Structural and functional analysis of a low-temperature-active alkaline esterase from South China Sea marine sediment microbial metagenomic library
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-06 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0001 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 133.459, 63.767, 88.688 |
Unit cell angles | 90.00, 127.11, 90.00 |
Refinement procedure
Resolution | 32.083 - 1.400 |
R-factor | 0.1759 |
Rwork | 0.176 |
R-free | 0.18130 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.191 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.067 | 50.000 | 1.720 |
High resolution limit [Å] | 1.400 | 4.040 | 1.400 |
Number of reflections | 101251 | ||
Completeness [%] | 97.0 | 91.7 | 98.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.3 M Magnesium chloride hexahydrate, 0.1 M Tris hydrochloride, pH 8.5, 24% w/v PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |