7VRD
Crystal structure of Enolase1 from Candida albicans complexed with 2'-phosphoglyceric acid sodium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-01-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 264.264, 61.848, 111.752 |
| Unit cell angles | 90.00, 109.80, 90.00 |
Refinement procedure
| Resolution | 38.060 - 1.700 |
| R-factor | 0.1732 |
| Rwork | 0.172 |
| R-free | 0.19660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2al2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.212 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.069 | 0.034 | 0.500 |
| Rmeas | 0.075 | 0.037 | 0.541 |
| Rpim | 0.029 | 0.014 | 0.203 |
| Total number of observations | 1237061 | ||
| Number of reflections | 185469 | 18997 | 18306 |
| <I/σ(I)> | 7.7 | ||
| Completeness [%] | 99.6 | 99.8 | 98.9 |
| Redundancy | 6.7 | 6.5 | 6.9 |
| CC(1/2) | 0.999 | 0.921 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Magnesium acetate tetrahydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 20% w/v Polyethlene glycol 8,000 |
