6EFX
Crystal structure of a YjeF family protein from Cryptococcus neoformans var. grubii serotype A in complex with AMPPNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-07-12 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 85.340, 85.340, 187.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.982 - 2.000 |
R-factor | 0.1675 |
Rwork | 0.164 |
R-free | 0.21080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | predicted structure from Robetta |
RMSD bond length | 0.000 |
RMSD bond angle | 0.930 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3211) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.982 | 46.982 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.078 | 0.021 | 0.574 |
Rmeas | 0.081 | 0.023 | 0.620 |
Total number of observations | 256552 | ||
Number of reflections | 23914 | 327 | 1722 |
<I/σ(I)> | 22.84 | 72.8 | 3.41 |
Completeness [%] | 99.9 | 97.3 | 99.9 |
Redundancy | 10.728 | 9.875 | 7.046 |
CC(1/2) | 0.999 | 1.000 | 0.889 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 285 | Optimization screen based on RigakuReagents JCSG+ screen, condition D3: 49% PEG 200, 100mM KH2PO4/Na2HPO4 pH 5.7, 100mM NaCl: CrneC.19313.a.B1.PS38377 at 15mg/ml + 2.5mM MgCl2 + 2.5mM AMPPNP: cryo: 10% EG + compounds: tray 301295g1, puck HWU2-5 |