Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-06-21 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 71.809, 69.079, 65.642 |
Unit cell angles | 90.00, 102.73, 90.00 |
Refinement procedure
Resolution | 28.960 - 1.700 |
R-factor | 0.183 |
Rwork | 0.182 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hdh |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.075 | 0.537 |
Number of reflections | 34467 | |
<I/σ(I)> | 9 | 3.3 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 4.6 | 291 | ammonium acetate, sodium acetate trihydrate, polyethylene glycol 4000, glycerol anhydrous, pH 4.6, MICROBATCH, temperature 291K |