2PCJ
Crystal structure of ABC transporter (aq_297) From Aquifex Aeolicus VF5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45PX |
Synchrotron site | SPring-8 |
Beamline | BL45PX |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-12-17 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.490, 70.810, 120.824 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.960 - 1.700 |
R-factor | 0.18 |
Rwork | 0.180 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f3o |
RMSD bond length | 0.004 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.041 | 0.190 |
Number of reflections | 46193 | |
Completeness [%] | 99.3 | 93.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 293 | 20% isopropanol, 0.1 M Na Citrate, 16% PEG 4000, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |