4R2N
Crystal structure of Rv3772 in complex with its substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-25 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.414, 164.460, 178.515 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.210 - 1.980 |
R-factor | 0.209 |
Rwork | 0.208 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4r5z |
RMSD bond length | 0.006 |
RMSD bond angle | 1.135 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 |
High resolution limit [Å] | 1.980 | 1.980 |
Number of reflections | 113605 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1M succinic acid, HEPES, 1% PEG2000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |