2AB0
Crystal Structure of E. coli protein YajL (ThiJ)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2004-04-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.86 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.722, 78.475, 99.946 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 100.000 - 1.100 |
R-factor | 0.1366 |
Rwork | 0.136 |
R-free | 0.17060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1p5f |
RMSD bond length | 0.010 |
RMSD bond angle | 0.027 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.140 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.063 | 0.741 |
Number of reflections | 132051 | |
<I/σ(I)> | 33.27 | 2.24 |
Completeness [%] | 96.4 | 92.9 |
Redundancy | 7 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | PEG4000, Tris-HCl, magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |