3WC7
Carboxypeptidase B in complex with EF6265
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] | 100 |
Detector technology | CCD |
Collection date | 2009-12-22 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.978 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 79.360, 79.360, 100.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.020 - 1.900 |
R-factor | 0.1824 |
Rwork | 0.181 |
R-free | 0.20710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wab |
RMSD bond length | 0.024 |
RMSD bond angle | 1.825 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 62.202 | 27.018 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.047 | 0.336 | |
Rmeas | 0.049 | 0.349 | |
Rpim | 0.014 | 0.095 | |
Total number of observations | 10895 | 50134 | |
Number of reflections | 25909 | ||
<I/σ(I)> | 25.9 | 45 | 9.7 |
Completeness [%] | 100.0 | 99 | 100 |
Redundancy | 13.6 | 11.7 | 13.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 296 | 100mM sodium cacodylate (pH 5.3-6.8), 100mM zinc acetate, 5-15% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 296K |