3N6Q
Crystal structure of YghZ from E. coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.11587 |
Spacegroup name | P 1 |
Unit cell lengths | 91.700, 98.056, 98.257 |
Unit cell angles | 90.27, 92.97, 106.12 |
Refinement procedure
Resolution | 94.070 - 1.800 |
R-factor | 0.17077 |
Rwork | 0.169 |
R-free | 0.20870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a79 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.534 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 98.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.060 | 0.568 |
Number of reflections | 294303 | |
<I/σ(I)> | 12.5 | 2.2 |
Completeness [%] | 96.7 | 95 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.2M MgFormate, 0.1M MES pH 6, 7.5% PEG 20,000, 4% 1,4 butanediol, VAPOR DIFFUSION, SITTING DROP, temperature 193K, temperature 293K |