7Q4J
A thermostable lipase from Thermoanaerobacter thermohydrosulfuricus in complex a monoacylglycerol intermediate
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-07 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97873, 0.97903 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 137.526, 137.526, 67.781 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.750 - 1.910 |
R-factor | 0.164 |
Rwork | 0.163 |
R-free | 0.19390 |
Structure solution method | MAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.833 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.940 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.051 | 0.642 |
Number of reflections | 49383 | 2071 |
<I/σ(I)> | 21.4 | 2.03 |
Completeness [%] | 97.1 | 82.2 |
Redundancy | 3.3 | |
CC(1/2) | 0.990 | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2.4 M ammonium sulfate, 0.1 M TRIS |