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 |
