5ZX9
Crystal structure of apo form fibronectin-binding protein Apa from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 2 |
Unit cell lengths | 118.666, 118.666, 117.894 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.479 - 1.550 |
R-factor | 0.1572 |
Rwork | 0.157 |
R-free | 0.17040 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.457 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 1.610 |
High resolution limit [Å] | 1.550 | 3.342 | 1.550 |
Rmerge | 0.063 | 0.041 | 0.999 |
Rmeas | 0.064 | 0.042 | |
Rpim | 0.016 | 0.010 | 0.281 |
Total number of observations | 787523 | ||
Number of reflections | 46832 | 4799 | 4645 |
<I/σ(I)> | 17.8 | ||
Completeness [%] | 99.9 | 99.1 | 100 |
Redundancy | 16.8 | 17.5 | 13.4 |
CC(1/2) | 0.999 | 0.824 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 20% PEG 8000, 0.1M HEPES pH 7.5, 0.2M (NH4)2SO4, 10% isopropanol |