3S23
Crystal structure of cerulenin bound Xanthomonas campestri oleA (co-crystal) Xe Derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-19 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 90.027, 90.027, 69.513 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.745 - 1.948 |
R-factor | 0.1819 |
Rwork | 0.180 |
R-free | 0.21710 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3s21 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.006 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.7_650) |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.980 |
High resolution limit [Å] | 1.948 | 1.948 |
Rmerge | 0.058 | 0.408 |
Number of reflections | 24115 | |
<I/σ(I)> | 55 | 7.1 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 11.1 | 11.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 17% PEG 4000, 80 manganese chloride, 100 mM MES pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |