Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-05-11 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.180, 120.030, 154.350 |
Unit cell angles | 90.00, 90.68, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.800 |
R-factor | 0.265 |
Rwork | 0.265 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j90 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.980 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.112 | 0.318 |
Number of reflections | 61311 | |
<I/σ(I)> | 8.2 | 2.2 |
Completeness [%] | 97.5 | 95.8 |
Redundancy | 3.5 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 287 | PEG 4000, AMMONIUM ACETATE, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 287K |