7FCA
PfkB(Mycobacterium marinum)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 291 |
Detector technology | CCD |
Collection date | 2019-04-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 128.415, 125.406, 137.518 |
Unit cell angles | 90.00, 106.83, 90.00 |
Refinement procedure
Resolution | 66.920 - 2.210 |
R-factor | 0.2136 |
Rwork | 0.212 |
R-free | 0.24520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4u7x |
RMSD bond length | 0.009 |
RMSD bond angle | 1.033 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.920 | 2.286 |
High resolution limit [Å] | 2.210 | 2.210 |
Number of reflections | 104442 | 10403 |
<I/σ(I)> | 19.84 | |
Completeness [%] | 99.8 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | pH 6.9, 0.49 M sodium phosphate monobasic monohydrate, 0.91 M potassium phosphate dibasic |