6VCA
TB38 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 236.910, 336.200, 222.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 3.730 |
R-factor | 0.2258 |
Rwork | 0.224 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4h2f |
RMSD bond length | 0.008 |
RMSD bond angle | 1.682 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 78.612 | 78.612 | 3.830 |
High resolution limit [Å] | 3.730 | 16.680 | 3.730 |
Rmerge | 0.255 | 0.054 | 3.585 |
Rmeas | 0.277 | 0.060 | 3.889 |
Total number of observations | 606702 | ||
Number of reflections | 92120 | 1123 | 6767 |
<I/σ(I)> | 6.12 | 25.03 | 0.59 |
Completeness [%] | 99.9 | 97.4 | 100 |
Redundancy | 6.586 | 5.216 | 6.684 |
CC(1/2) | 0.995 | 0.996 | 0.194 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 1.6M sodium phosphate monobasic monohydrate, 0.4M potassium phosphate dibasic, and 0.1M sodium phosphate citrate pH 5.3 |