6PMP
Crystal structure of a fragment of rat phospholipase Cepsilon EF3-RA1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 110 |
Detector technology | PIXEL |
Collection date | 2018-11-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.572, 127.755, 139.337 |
Unit cell angles | 90.00, 101.12, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.730 |
R-factor | 0.23591 |
Rwork | 0.234 |
R-free | 0.27278 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3OHM |
RMSD bond length | 0.011 |
RMSD bond angle | 1.714 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 136.720 | 136.720 | 2.880 |
High resolution limit [Å] | 2.730 | 8.640 | 2.730 |
Rmerge | 0.268 | 0.049 | 1.794 |
Rmeas | 0.319 | 0.058 | 2.120 |
Rpim | 0.171 | 0.031 | 1.122 |
Total number of observations | 288747 | 9194 | 43223 |
Number of reflections | 84933 | 2783 | 12359 |
<I/σ(I)> | 5.1 | 14.9 | 1.1 |
Completeness [%] | 99.6 | 99.5 | 99.7 |
Redundancy | 3.4 | 3.3 | 3.5 |
CC(1/2) | 0.971 | 0.996 | 0.334 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 285.15 | 6.25% PEG 4000, 100 mM MES pH 6.00, 0.2 M NaCl |