3QAT
Crystal structure of acyl-carrier-protein-S-malonyltransferase from Bartonella henselae
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 | 2010-12-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.190, 98.010, 138.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.600 |
R-factor | 0.1597 |
Rwork | 0.159 |
R-free | 0.18230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ezo |
RMSD bond length | 0.013 |
RMSD bond angle | 1.374 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.640 | |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmerge | 0.070 | 0.024 | 0.460 |
Number of reflections | 89635 | 1147 | 5790 |
<I/σ(I)> | 20.24 | 53.3 | 3.5 |
Completeness [%] | 98.8 | 99.3 | 87.4 |
Redundancy | 8.1 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | BaheA.00141.a.A1 PS00852 at 21.8 mg/mL against JCSG+ screen condition A5, 0.2 M magnesium formate, 20% PEG 3350 with 25% EG as cryo-protectant, crystal tracking ID 218778a5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |