3T2P
E. coli (lacZ) beta-galactosidase (S796D) in complex with IPTG
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-30 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.11587 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 150.869, 166.171, 200.786 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.670 - 2.600 |
R-factor | 0.18491 |
Rwork | 0.184 |
R-free | 0.24181 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 1.035 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 200.000 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.076 | 0.382 |
Number of reflections | 153180 | |
<I/σ(I)> | 22.2 | 2.4 |
Completeness [%] | 98.7 | 84.3 |
Redundancy | 6.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 288 | 8-10% PEG 8000, 100 MM BIS-TRIS, 200 MM MGCL2, 100 MM NACL, 10 MM DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288.0K |