4QLF
Crystal structure of I14G 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 | 2010-09-08 |
Detector | NOIR-1 |
Wavelength(s) | 1.000 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 33.489, 34.431, 134.234 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.580 - 1.440 |
R-factor | 0.18284 |
Rwork | 0.182 |
R-free | 0.20626 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rx2 |
RMSD bond length | 0.025 |
RMSD bond angle | 2.419 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.120 | 1.520 |
High resolution limit [Å] | 1.440 | 1.440 |
Rmerge | 0.049 | 0.365 |
Number of reflections | 27985 | |
<I/σ(I)> | 21.1 | 3 |
Completeness [%] | 96.4 | 76.8 |
Redundancy | 6.6 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.1 M Tris, pH 8.5, 0.9 M LiCl, 36% w/v PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |