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 |
