2PBL
Crystal structure of a putative thioesterase (tm1040_2492) from silicibacter sp. tm1040 at 1.79 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-10 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97937, 0.91837, 0.97910 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.197, 74.438, 95.727 |
Unit cell angles | 90.00, 113.39, 90.00 |
Refinement procedure
Resolution | 29.450 - 1.790 |
R-factor | 0.224 |
Rwork | 0.221 |
R-free | 0.27000 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.710 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.450 | 29.450 | 1.840 |
High resolution limit [Å] | 1.790 | 8.010 | 1.790 |
Rmerge | 0.108 | 0.055 | 0.653 |
Total number of observations | 3186 | 21580 | |
Number of reflections | 93727 | ||
<I/σ(I)> | 4.8 | 8.3 | 1.1 |
Completeness [%] | 99.9 | 96.6 | 100 |
Redundancy | 3.2 | 3 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | NANODROP, 0.2M MgCl2, 30.0% PEG 4000, 0.1M Tris-HCl pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |