4KZ1
Crystal structure of the soluble domain of VirB8 from Bartonella grahamii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-05-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9774 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 60.620, 60.620, 124.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.340 - 2.550 |
R-factor | 0.2051 |
Rwork | 0.203 |
R-free | 0.24910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jf8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.346 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.2) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.620 | |
High resolution limit [Å] | 2.550 | 11.400 | 2.550 |
Rmerge | 0.030 | 0.012 | 0.506 |
Number of reflections | 8063 | 102 | 579 |
<I/σ(I)> | 42.96 | 99.54 | 3.82 |
Completeness [%] | 99.6 | 85 | 99.7 |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | BagrA.18388.a.B2.PW37031 at 6.35 mg/mL against MCSG1 screen condition E6, 0.2 M potassium sulfate, 20% PEG 3350 with 15% ethylene glycol as cryo-protectant; crystal tracking ID 238817e6, unique puck ID acy5-8, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |