Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL40B2 |
Synchrotron site | SPring-8 |
Beamline | BL40B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-03-04 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 33.629, 27.639, 70.967 |
Unit cell angles | 90.00, 103.07, 90.00 |
Refinement procedure
Resolution | 32.600 - 1.920 |
R-factor | 0.184 |
Rwork | 0.178 |
R-free | 0.24000 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.423 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.980 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.060 | 0.190 |
Number of reflections | 9958 | |
<I/σ(I)> | 24.2 | 8.4 |
Completeness [%] | 98.9 | 93.2 |
Redundancy | 3.1 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | PEG 6000, AMMONIUM CHLORIDE, PH 7.0 |