1SBK
X-RAY STRUCTURE OF YDII_ECOLI NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER29.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-01-31 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97938 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.642, 61.196, 93.008 |
Unit cell angles | 90.00, 104.66, 90.00 |
Refinement procedure
Resolution | 28.970 - 2.000 |
R-factor | 0.223 |
Rwork | 0.223 |
R-free | 0.27200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1O0I |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.105 | 0.330 |
Number of reflections | 34984 | |
<I/σ(I)> | 13.3 | 4.1 |
Completeness [%] | 99.5 | 98.6 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 303 | 1.75M Ammonium sulfate, 0.1M NaCl, 10mM DTT, 50 mM Imidazole pH 6.0, 3% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 303K |