5XDV
Staphylococcus aureus FtsZ 12-316 G196S complexed with TXA6101
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-09-28 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.900 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 71.392, 50.443, 88.263 |
Unit cell angles | 90.00, 109.97, 90.00 |
Refinement procedure
Resolution | 41.480 - 1.700 |
R-factor | 0.1748 |
Rwork | 0.173 |
R-free | 0.20610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3voa |
RMSD bond length | 0.012 |
RMSD bond angle | 1.735 |
Data reduction software | HKL |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
Rmerge | 0.060 | 0.050 | 0.368 |
Rmeas | 0.070 | 0.060 | 0.431 |
Rpim | 0.037 | 0.032 | 0.222 |
Number of reflections | 32355 | ||
<I/σ(I)> | 8.8 | ||
Completeness [%] | 99.5 | 91.5 | 100 |
Redundancy | 3.7 | 3.5 | 3.8 |
CC(1/2) | 0.994 | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.4 | 293 | 100mM Tris-HCl, 43% w/v PEP629, 300mM KCl |