3G87
Crystal structure of malonyl CoA-acyl carrier protein transacylase from Burkholderia pseudomallei using dried seaweed as nucleant or protease
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-05 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54180 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.495, 69.196, 83.202 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.300 |
R-factor | 0.212 |
Rwork | 0.210 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mla |
RMSD bond length | 0.019 |
RMSD bond angle | 1.740 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.151 | 0.096 | 0.498 |
Number of reflections | 14632 | ||
<I/σ(I)> | 9.025 | ||
Completeness [%] | 95.4 | 87.4 | 99.2 |
Redundancy | 4.7 | 4.6 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 24.5 mg/mL protein, JCSG+ screen well h6; used dried seaweed as nucleant or protease as described by Thakur et al PLOS one 2007, 2, e1091 and D'Arcy et al Acta Cryst D 2003, 59, 1343; 0.1 M BisTris pH 5.5, 17% PEG 10,000, 0.1 M NH4OAC; Crystal ID 201868h6, VAPOR DIFFUSION, SITTING DROP, temperature 289K |