4QLG
Crystal structure of I14V DHFR mutant complexed with folate and NADP+
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 | 2010-12-18 |
Detector | NOIR-1 |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.077, 60.253, 74.179 |
Unit cell angles | 90.00, 95.97, 90.00 |
Refinement procedure
Resolution | 30.210 - 1.500 |
R-factor | 0.17639 |
Rwork | 0.174 |
R-free | 0.22680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rx2 |
RMSD bond length | 0.023 |
RMSD bond angle | 2.446 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.780 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.040 | 0.166 |
Number of reflections | 47127 | |
<I/σ(I)> | 17.3 | 3.6 |
Completeness [%] | 95.6 | 89.7 |
Redundancy | 3.86 | 3.75 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.1 M Tris, pH 8.5, 0.1 M LiCl, 34.2% w/v PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |