Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1995-07-15 |
Detector | MARRESEARCH |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 102.400, 102.400, 170.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.600 - 2.500 |
Rwork | 0.252 |
R-free | 0.37900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aw5 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.019 |
Data reduction software | MOSFLM |
Data scaling software | Agrovata |
Phasing software | CCP4 |
Refinement software | CCP4 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 14.600 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.098 | 0.243 |
Number of reflections | 14956 | |
<I/σ(I)> | 5.2 | 3 |
Completeness [%] | 93.0 | 37.6 |
Redundancy | 6.1 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8 | AS FOR PDB ENTRY 1AW5 WITH 1MM LEAD ACETATE, pH 8.00 |