4B6G
The Crystal Structure of the Neisserial Esterase D.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-30 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 111.268, 111.268, 169.861 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.842 - 1.400 |
| R-factor | 0.1434 |
| Rwork | 0.143 |
| R-free | 0.15390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fcx |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.222 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.840 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.060 | 0.680 |
| Number of reflections | 151514 | |
| <I/σ(I)> | 15.3 | 2.3 |
| Completeness [%] | 99.4 | 98 |
| Redundancy | 5.2 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 25 MM BIS-TRIS (PH 6.5), 200 MM LITHIUM SULFATE AND 25% PEG 3350. |
