3OV5
Atomic structure of the Xanthomonas citri VirB7 globular domain.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-30 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9537 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 27.760, 55.810, 83.097 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.810 - 1.040 |
R-factor | 0.1312 |
Rwork | 0.130 |
R-free | 0.15161 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Globular domain from NMR structure of the same protein. |
RMSD bond length | 0.013 |
RMSD bond angle | 1.690 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.080 |
High resolution limit [Å] | 1.040 | 1.040 |
Rmerge | 0.068 | 0.293 |
Number of reflections | 30320 | |
<I/σ(I)> | 34.8 | 5.1 |
Completeness [%] | 96.3 | 79 |
Redundancy | 12.1 | 8.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 14 mg/mL protein in 5 mM Tris-Cl pH 7.5 and 25 mM sodium chloride was submitted to vapor diffusion sitting-drop crystallization trials at 291 K. Large plates appeared after one day over a reservoir solution comprising 1.4 M ammonium sulphate and 4 % (v/v) isopropyl alcohol. Reservoir solution supplemented with 25 % (v/v) glycerol was used as cryoprotectant. , VAPOR DIFFUSION, SITTING DROP |