4Q6X
Structure of phospholipase D Beta1B1i from Sicarius terrosus venom at 2.14 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.127 |
Spacegroup name | P 32 |
Unit cell lengths | 49.222, 49.222, 90.114 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.560 - 2.140 |
R-factor | 0.16689 |
Rwork | 0.164 |
R-free | 0.22069 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rlh |
RMSD bond length | 0.010 |
RMSD bond angle | 1.386 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.560 | 2.250 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.077 | 0.436 |
Number of reflections | 13352 | |
<I/σ(I)> | 13.9 | 2.6 |
Completeness [%] | 99.1 | 94.8 |
Redundancy | 3.7 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 3 mg/ml protein, 12% PEG 3350, 0.1M Bis-Tris, 0.1M magnesium chloride , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |