2YNQ
Crystal Structure of Geobacillus thermodenitrificans EssB extracellular fragment
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-28 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 132.890, 110.620, 97.410 |
Unit cell angles | 90.00, 103.34, 90.00 |
Refinement procedure
Resolution | 94.782 - 2.400 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.22150 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.011 |
RMSD bond angle | 1.202 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.460 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.070 | 0.440 |
Number of reflections | 52114 | |
<I/σ(I)> | 11.7 | 3 |
Completeness [%] | 97.4 | 96.3 |
Redundancy | 4.6 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 3 M MALONATE PH7.0, 10 MM ZNCL2 |