4D7K
Crystal structure of N,N-8-amino-8-demethyl-D-riboflavin dimethyltransferase (RosA) from Streptomyces davawensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-07-13 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 |
Unit cell lengths | 82.719, 82.760, 96.453 |
Unit cell angles | 95.08, 98.67, 114.53 |
Refinement procedure
Resolution | 34.773 - 2.220 |
R-factor | 0.1976 |
Rwork | 0.195 |
R-free | 0.24850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | MODEL GENERATED WITH MAD |
RMSD bond length | 0.003 |
RMSD bond angle | 0.618 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.770 | 2.260 |
High resolution limit [Å] | 2.220 | 2.220 |
Rmerge | 0.030 | 0.400 |
Number of reflections | 86780 | |
<I/σ(I)> | 12.7 | 1.7 |
Completeness [%] | 77.4 | 33 |
Redundancy | 1.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | PROTEIN WAS CRYSTALLIZED FROM 25% PEG 3350, 100 MM TRISHCL, PH 5.5 AND 200 MM NACL. |