3QQW
Crystal structure of a putative lyase (Reut_B4148) from Ralstonia eutropha JMP134 at 2.44 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-10 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 226.401, 73.826, 149.252 |
Unit cell angles | 90.00, 125.31, 90.00 |
Refinement procedure
Resolution | 29.793 - 2.440 |
R-factor | 0.2031 |
Rwork | 0.202 |
R-free | 0.23130 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXD |
Refinement software | BUSTER |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.793 | 29.793 | 2.530 |
High resolution limit [Å] | 2.440 | 5.230 | 2.440 |
Rmerge | 0.050 | 0.025 | 0.395 |
Number of reflections | 74753 | 14397 | 14734 |
<I/σ(I)> | 11.15 | 25.8 | 2.1 |
Completeness [%] | 97.1 | 96.1 | 97 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.93 | 293 | 1.00M lithium chloride, 20.100% polyethylene glycol 6000, 0.1M MES pH 5.93, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |