Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-10-06 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 72.240, 73.874, 68.939 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.750 |
R-factor | 0.20172 |
Rwork | 0.198 |
R-free | 0.24713 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k9u |
RMSD bond length | 0.018 |
RMSD bond angle | 1.571 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BEAST |
Refinement software | REFMAC (5.3.0017) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 37132 | |
<I/σ(I)> | 18.1 | 3.2 |
Completeness [%] | 97.9 | 84.5 |
Redundancy | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3.4 | 293 | 0.2 M ammonium sulfate, 22% PEG 4000, 0.1 M alanine/HCl, pH 3.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |