3NP2
Crystal Structure of Pd(allyl)/apo-E45C/C48A-rHLFr
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 182.296, 182.296, 182.296 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.360 - 1.860 |
R-factor | 0.20045 |
Rwork | 0.199 |
R-free | 0.22852 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dat |
RMSD bond length | 0.018 |
RMSD bond angle | 1.519 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.930 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.127 | 0.285 |
Number of reflections | 22120 | |
Completeness [%] | 98.6 | 100 |
Redundancy | 10.4 | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | ammonium sulfate, cadmium sulfate , pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |