7JJ8
Crystal structure of the Zn(II)-bound ZnuA-like domain of Streptococcus pneumoniae AdcA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-05-14 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.954 |
Spacegroup name | P 1 |
Unit cell lengths | 60.372, 67.956, 79.622 |
Unit cell angles | 92.28, 104.70, 115.96 |
Refinement procedure
Resolution | 19.360 - 2.030 |
R-factor | 0.170294108042 |
Rwork | 0.169 |
R-free | 0.21282 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2osv |
RMSD bond length | 0.007 |
RMSD bond angle | 0.979 |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.360 | 2.100 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.108 | 0.804 |
Number of reflections | 68710 | 6809 |
<I/σ(I)> | 8.6 | |
Completeness [%] | 98.2 | |
Redundancy | 3.9 | |
CC(1/2) | 0.990 | 0.660 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 12.5% (w/v) polyethylene glycol 1000, 12.5% (w/v) PEG 3350, 12.5% (v/v) 2-methyl-2,4-pentanediol, 0.03 M MgCl2, 0.03 M CaCl2, 0.1 M imidazole-MES, pH 6.5 |