6AL3
Lys49 PLA2 BPII derived from the venom of Protobothrops flavoviridis.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-11 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 64 |
Unit cell lengths | 126.900, 126.900, 64.880 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.363 - 2.570 |
R-factor | 0.2269 |
Rwork | 0.218 |
R-free | 0.24510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vfh |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.363 | 45.363 | 2.720 |
High resolution limit [Å] | 2.570 | 7.600 | 2.570 |
Rmerge | 0.123 | 0.033 | 0.564 |
Rmeas | 0.134 | 0.035 | 0.611 |
Total number of observations | 129632 | ||
Number of reflections | 19245 | 780 | 3080 |
<I/σ(I)> | 12.62 | 34.31 | 3 |
Completeness [%] | 99.9 | 99.2 | 99.8 |
Redundancy | 6.736 | 6.377 | 6.873 |
CC(1/2) | 1.000 | 1.000 | 0.846 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 100 mM Sodium acetate pH 4.2, 0.5 M Ammonium acetate, 32.5% PEG 4000 |