4D5S
Structure of A49 from Vaccinia Virus Western Reserve
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-12 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 67.783, 67.783, 153.947 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 153.950 - 3.000 |
R-factor | 0.22215 |
Rwork | 0.220 |
R-free | 0.27332 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d5r |
RMSD bond length | 0.012 |
RMSD bond angle | 1.370 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.050 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.100 | |
Number of reflections | 7353 | |
<I/σ(I)> | 17.5 | 2.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.8 | 14.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 294 | FULL-LENGTH A49 (100 NL AT 9.5 MG/ML) WAS MIXED WITH 100 NL RESERVOIR SOLUTION AND EQUILIBRATED AT 21 C AGAINST 95 UL RESERVOIRS COMPRISING 25% (WT/VOL) PEG 3350, 0.2 M AMMONIUM SULFATE AND 0.1 M TRIS PH 9.5. CRYOPROTECTION WAS ACHIEVED BY QUICKLY SWEEPING THE CRYSTAL THROUGH RESERVOIR SUPPLEMENTED WITH 20% (VOL/VOL) GLYCEROL. |