3BJR
Crystal structure of a putative carboxylesterase (lp_1002) from lactobacillus plantarum wcfs1 at 2.09 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-26 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.91840, 0.97939, 0.97953 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 93.620, 93.620, 99.570 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.285 - 2.090 |
R-factor | 0.176 |
Rwork | 0.175 |
R-free | 0.19200 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.739 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.285 | 29.285 | 2.160 |
High resolution limit [Å] | 2.090 | 4.490 | 2.090 |
Rmerge | 0.084 | 0.042 | 0.610 |
Number of reflections | 29521 | 5795 | 4554 |
<I/σ(I)> | 8.84 | 20.5 | 2.2 |
Completeness [%] | 97.0 | 98.7 | 83.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | NANODROP, 0.8M (NH4)2SO4, 0.1M Bicine pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |