4KN2
Human folate receptor beta (FOLR2) in complex with antifolate pemetrexed
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-02 |
Detector | NOIR-1 |
Wavelength(s) | 0.91840 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 97.443, 97.443, 348.105 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.721 - 2.600 |
R-factor | 0.1962 |
Rwork | 0.194 |
R-free | 0.24390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kmz |
RMSD bond length | 0.008 |
RMSD bond angle | 1.067 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
Rmerge | 0.113 | 0.047 | 0.675 |
Number of reflections | 26536 | ||
<I/σ(I)> | 6.6 | ||
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 8.1 | 7.3 | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 293 | 1.5 M Ammonium phosphate dibasc, 0.1 M Tris pH 8.5, Vapor diffusion, sitting drop, temperature 293K |