Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX10.1 |
Synchrotron site | SRS |
Beamline | PX10.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-03 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.074 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.856, 100.273, 80.465 |
Unit cell angles | 90.00, 92.54, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.780 |
R-factor | 0.15 |
Rwork | 0.148 |
R-free | 0.18800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kl5 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.469 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.104 | 0.392 |
Number of reflections | 94575 | |
<I/σ(I)> | 13.6 | 4 |
Completeness [%] | 98.5 | 98.3 |
Redundancy | 8 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | oil batch (TERA) | 4.75 | 298 | 20MM TRIS-HCL PH 8.0, 200MM NACL. 40% V/V 1,2-PROPANEDIOL, 0.1M ACETATE PH 4.5, 0.05M CA ACETATE, oil batch (TERA), temperature 298.0K |