4KJD
RatIntestinal AP expressed in E. coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-18 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.22 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.321, 75.726, 170.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.680 - 2.210 |
R-factor | 0.1691 |
Rwork | 0.167 |
R-free | 0.20340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ew2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (BUSTER 2.11.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
Rmerge | 0.096 | 0.057 | 0.592 |
Number of reflections | 42064 | ||
<I/σ(I)> | 7.2 | ||
Completeness [%] | 99.9 | 99.6 | 100 |
Redundancy | 6 | 5.7 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | 0.1 M NH4Cl, 0.1 M MES 6.5, 20 % PEG MME 2000, Vapor diffusion, temperature 293K |