6KHM
Lipase (Open form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-04 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.98 |
Spacegroup name | P 31 |
Unit cell lengths | 185.857, 185.857, 205.099 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.640 - 2.400 |
R-factor | 0.1881 |
Rwork | 0.185 |
R-free | 0.25570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6khk |
RMSD bond length | 0.010 |
RMSD bond angle | 1.686 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.110 | 0.480 |
Rpim | 0.040 | 0.180 |
Number of reflections | 310189 | 15265 |
<I/σ(I)> | 19 | |
Completeness [%] | 97.6 | |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 297 | 2M (NH4)2SO4, 0.2M MgCl2, and 0.1M Bis-Tris |