4QLE
Crystal structure of I14A 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 | 2011-06-09 |
Detector | NOIR-1 |
Wavelength(s) | 0.855 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.115, 59.515, 74.227 |
Unit cell angles | 90.00, 95.53, 90.00 |
Refinement procedure
Resolution | 30.480 - 1.350 |
R-factor | 0.13617 |
Rwork | 0.134 |
R-free | 0.18134 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rx2 |
RMSD bond length | 0.021 |
RMSD bond angle | 2.159 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.880 | 1.420 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.031 | 0.565 |
Number of reflections | 66630 | |
<I/σ(I)> | 21.22 | 2.3 |
Completeness [%] | 99.7 | 100 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M Lithium acetate, 20% w/v PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K |