3UCA
Crystal structure of isoprenoid synthase (target EFI-501974) from clostridium perfringens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-07 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 70.117, 70.117, 228.136 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.480 - 2.000 |
R-factor | 0.19059 |
Rwork | 0.189 |
R-free | 0.22996 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3krf |
RMSD bond length | 0.010 |
RMSD bond angle | 1.109 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 45199 | |
<I/σ(I)> | 5.7 | 1.1 |
Completeness [%] | 99.8 | 100 |
Redundancy | 7.2 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 0.1M BIS-TRIS, 0.2M SODIUM CHLORIDE, PH 5.5, 25% PEG3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294 |