6TLB

Plasmodium falciparum lipocalin (PF3D7_0925900)

Refinement Statistics

Experimental method: SOLUTION SCATTERING, X-RAY DIFFRACTION (2.85 Å)

Cell axes	63.993	92.250	214.502
Cell angles	90.00	98.35	90.00
Spacegroup	I 1 2 1
Resolution limits	56.20 - 2.85

Crystallization Conditions

crystal ID	method	pH	pH range	temperature	unit
1	VAPOR DIFFUSION	7		292

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	I 1 2 1
Unit cell lengths	63.993, 92.250, 214.502
Unit cell angles	90.00, 98.35, 90.00

Refinement procedure

Resolution	56.200 - 2.850
R-factor	0.1912
Rwork	0.189
R-free	0.23647
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mbt
RMSD bond length	0.007
RMSD bond angle	1.539
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.200	2.952
High resolution limit [Å]	2.850	2.850
Rmerge	0.199
Rmeas	0.294
Number of reflections	28936	2889
<I/σ(I)>	3.69	1.19
Completeness [%]	99.8	99.9
Redundancy	2
CC(1/2)	0.546	0.410

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	292	0.2 M magnesium chloride, 0.1 M Tris pH7, 2.5 M Sodium Chloride