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 |
