3ALS
Crystal structure of CEL-IV
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2007-10-12 |
Detector | ADSC QUANTUM 4r |
Wavelength(s) | 0.978 |
Spacegroup name | P 65 |
Unit cell lengths | 86.065, 86.065, 375.321 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.030 - 3.000 |
R-factor | 0.1966 |
Rwork | 0.196 |
R-free | 0.21475 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wmy |
RMSD bond length | 0.024 |
RMSD bond angle | 2.129 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.900 | 3.160 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.077 | 0.298 |
Number of reflections | 31417 | |
<I/σ(I)> | 29.4 | 8.6 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 11.4 | 11.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M HEPES, 4.3M NaCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |