5VVE
Crystal structure of phosphoglycerate mutase from Naegleria fowleri
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-05-01 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 77.610, 89.330, 157.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.046 - 1.700 |
R-factor | 0.1659 |
Rwork | 0.165 |
R-free | 0.19470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e58 found by Morda |
RMSD bond length | 0.008 |
RMSD bond angle | 0.928 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX (dev_2776) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.046 | 47.046 | 1.740 |
High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
Rmerge | 0.042 | 0.024 | 0.431 |
Rmeas | 0.044 | 0.025 | 0.473 |
Number of reflections | 60168 | 766 | 4118 |
<I/σ(I)> | 34.11 | 99.24 | 3.69 |
Completeness [%] | 99.3 | 99.2 | 93.1 |
Redundancy | 12.494 | 17.106 | 5.942 |
CC(1/2) | 1.000 | 1.000 | 0.947 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | Micolytic MCSG1 A7: 200mM MgCl2, 25% PEG 3350, 100mM BisTris HCl pH 5.5:NafoA.0013.a.B1.PS38236 at 18.9mg/ml: crystals soaked for 3h with 2.5mM 3-Pospho-glycerate (BSI 1959, not visible in structure): cryo: 20% EG, tray: 290723a7, puck wvn8-2 |