3UMJ
Crystal Structure of D311E Lipase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-04 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.540 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 117.323, 81.162, 100.140 |
Unit cell angles | 90.00, 96.49, 90.00 |
Refinement procedure
Resolution | 33.170 - 2.100 |
R-factor | 0.15806 |
Rwork | 0.155 |
R-free | 0.21163 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dsn |
RMSD bond length | 0.022 |
RMSD bond angle | 1.786 |
Data reduction software | XPREP |
Data scaling software | SADABS |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.570 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.083 | 0.195 |
Number of reflections | 88705 | |
<I/σ(I)> | 4.01 | |
Completeness [%] | 96.9 | 91.4 |
Redundancy | 2.93 | 2.15 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | 0.1M MES, 0.1M Sodium phosphate, 0.1M Potassium phosphate, 1.5M NaCl, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K |