4ZE9
Se-PBP AccA from A. tumefaciens C58 in complex with agrocinopine A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-03-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97895 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 77.690, 114.720, 109.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.590 - 2.650 |
R-factor | 0.171 |
Rwork | 0.168 |
R-free | 0.23200 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.050 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.000 | 2.810 |
High resolution limit [Å] | 2.650 | 2.650 |
Number of reflections | 14551 | |
<I/σ(I)> | 11.78 | |
Completeness [%] | 99.8 | 98.9 |
Redundancy | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 20% PEG 4K, 0.2M ACNH4, 0.1M NA CITRATE PH 5.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |