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 |
