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 |
