7F0B
Crystal structure of capreomycin phosphotransferase in complex with ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2020-12-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9732 |
Spacegroup name | P 42 2 2 |
Unit cell lengths | 91.833, 91.833, 120.619 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.250 - 2.140 |
R-factor | 0.2093 |
Rwork | 0.206 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7f0a |
RMSD bond length | 0.011 |
RMSD bond angle | 1.735 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.220 |
High resolution limit [Å] | 2.140 | 2.140 |
Number of reflections | 29140 | 2835 |
<I/σ(I)> | 55.9 | 2.32 |
Completeness [%] | 99.9 | |
Redundancy | 9.6 | |
CC(1/2) | 0.984 | 0.927 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.4 M sodium malonate pH 7.0, 0.1 M Bis-Tris propane pH 7.0, 0.1 M calcium chloride dihydrate |