3NOZ
Crystal Structure of Pd(allyl)/apo-E45C/R52H-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 | 2009-11-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 181.427, 181.427, 181.427 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.340 - 1.520 |
R-factor | 0.19648 |
Rwork | 0.196 |
R-free | 0.20867 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dat |
RMSD bond length | 0.016 |
RMSD bond angle | 1.592 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.570 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.054 | 0.347 |
Number of reflections | 39501 | |
Completeness [%] | 99.2 | 93.9 |
Redundancy | 10.2 | 5.5 |
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 |