6YAG
Crystal structure of PnrA from S. pneumoniae in complex with thymidine
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 | 2019-02-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979336 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 78.966, 303.818, 128.417 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.210 - 2.550 |
R-factor | 0.2108 |
Rwork | 0.208 |
R-free | 0.25510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fqw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.495 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.210 | 2.630 |
High resolution limit [Å] | 2.550 | 2.550 |
Rpim | 0.160 | 0.710 |
Number of reflections | 50223 | 4624 |
<I/σ(I)> | 5.1 | 1.5 |
Completeness [%] | 99.2 | |
Redundancy | 7.2 | |
CC(1/2) | 0.960 | 0.520 |
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) |