3R6M
Crystal structure of Vibrio parahaemolyticus YeaZ
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-14 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.733, 63.844, 82.271 |
Unit cell angles | 90.00, 104.94, 90.00 |
Refinement procedure
Resolution | 79.489 - 3.100 |
R-factor | 0.2415 |
Rwork | 0.239 |
R-free | 0.29390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gel |
RMSD bond length | 0.015 |
RMSD bond angle | 1.756 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 79.489 | 49.777 | 3.270 |
High resolution limit [Å] | 3.100 | 9.800 | 3.100 |
Rmerge | 0.057 | 0.293 | |
Total number of observations | 890 | 4698 | |
Number of reflections | 13608 | ||
<I/σ(I)> | 8.9 | 8.8 | 2.6 |
Completeness [%] | 92.2 | 78.9 | 90.9 |
Redundancy | 2.5 | 2.3 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20% PEG 3350, 200 mM lithium acetate dihydrate, 30 mM Tris HCl pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298 K |