4HW6
Crystal structure of an auxiliary nutrient binding protein (BACOVA_00264) from Bacteroides ovatus ATCC 8483 at 1.70 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 | 2012-09-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.918401, 0.979338 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 104.294, 81.554, 128.532 |
Unit cell angles | 90.00, 108.60, 90.00 |
Refinement procedure
Resolution | 29.894 - 1.700 |
R-factor | 0.1507 |
Rwork | 0.149 |
R-free | 0.17890 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.299 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | SOLVE |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.894 | 29.894 | 1.740 |
High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
Rmerge | 0.037 | 0.959 | |
Total number of observations | 9609 | 61439 | |
Number of reflections | 224161 | ||
<I/σ(I)> | 8.9 | 16.7 | 0.7 |
Completeness [%] | 99.9 | 98.3 | 99.8 |
Redundancy | 3.7 | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | 2.0M magnesium chloride, 0.1M Sodium Iodide, 0.1M Bicine pH 9.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |