4MCJ
Crystal structure of a putative nucleoside deoxyribosyltransferase (BDI_0649) from Parabacteroides distasonis ATCC 8503 at 2.40 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979493,0.918401,0.979338 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 323.850, 65.629, 102.710 |
Unit cell angles | 90.00, 90.48, 90.00 |
Refinement procedure
Resolution | 29.277 - 2.400 |
R-factor | 0.1864 |
Rwork | 0.185 |
R-free | 0.21250 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.000 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.277 | 29.277 | 2.460 |
High resolution limit [Å] | 2.400 | 10.730 | 2.400 |
Rmerge | 0.041 | 0.917 | |
Total number of observations | 3365 | 22106 | |
Number of reflections | 82726 | ||
<I/σ(I)> | 7.2 | 12.1 | 0.8 |
Completeness [%] | 97.8 | 93.5 | 97.2 |
Redundancy | 3.6 | 3.5 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 0.0100M cobalt chloride, 1.00M 1,6-Hexanediol, 0.00% Ethanol, 0.1M sodium acetate pH 4.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |