6YA4
Crystal structure of PnrA from S. pneumoniae in complex with cytidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978950 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 78.612, 304.386, 128.383 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.070 - 2.200 |
Rwork | 0.200 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fqw |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (7.0.078) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.120 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rpim | 0.060 | 0.620 |
Number of reflections | 78306 | 4445 |
<I/σ(I)> | 14.6 | 2.3 |
Completeness [%] | 99.7 | |
Redundancy | 7.7 | |
CC(1/2) | 0.990 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 28% PEG 600, 0.2 M calcium acetate and 0.1 M sodium cacodylate (pH 6.5) |