3GZM
Crystal Structure of holo PfACP Reduced Monomer
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-29 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.54168 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 54.177, 54.177, 101.629 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.320 - 1.800 |
R-factor | 0.20919 |
Rwork | 0.206 |
R-free | 0.27607 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gzl |
RMSD bond length | 0.020 |
RMSD bond angle | 2.112 |
Data reduction software | SAINT |
Data scaling software | PROTEUM PLUS (PLUS) |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.320 | 1.650 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.199 | 0.949 |
Number of reflections | 13930 | |
<I/σ(I)> | 31.05 | 2.85 |
Completeness [%] | 95.4 | 72.8 |
Redundancy | 44.77 | 5.18 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 296 | 3.03M NaMalonate, 80mM BME, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 296K |