3KZX
Crystal structure of a Had-superfamily hydrolase from Ehrlichia chaffeensis at 1.9A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.900, 63.810, 120.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.950 - 1.900 |
| R-factor | 0.174 |
| Rwork | 0.172 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d6j modified with CCP4 program CHAINSAW and trimmed to conserved domain |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.425 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0104) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.077 | 0.529 |
| Number of reflections | 21206 | |
| <I/σ(I)> | 14.54 | 2.8 |
| Completeness [%] | 99.2 | 99.6 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | HR INDEX SCREEN C6: 100MM BISTRIS PH 6.5, 1.5M AMMONIUM SULPHATE, 100MM NACL; EHCHA.01190.A AT 27MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K |
