5KVR
X-Ray Crystal Structure of a Fragment (1-75) of a Transcriptional Regulator PdhR from Escherichia coli CFT073
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-06 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 45.270, 45.270, 59.160 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.610 - 1.360 |
R-factor | 0.178 |
Rwork | 0.177 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d4s |
RMSD bond length | 0.004 |
RMSD bond angle | 0.675 |
Data reduction software | XDS (Oct 15, 2015) |
Data scaling software | Aimless (0.5.27) |
Phasing software | BALBES |
Refinement software | PHENIX (DEV_2203) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.610 | 1.400 |
High resolution limit [Å] | 1.360 | 1.360 |
Rmerge | 0.039 | 1.009 |
Number of reflections | 15449 | |
<I/σ(I)> | 21.9 | 1.5 |
Completeness [%] | 99.3 | 94.4 |
Redundancy | 6.6 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 25% P3350, NH4Acetate 0.2M, B-Tr 0.1M pH 5.5 Cryo-condition: paratone |