6O5E

Crystal structure of the Vitronectin hemopexin-like domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-01-03
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	40.560, 97.360, 49.160
Unit cell angles	90.00, 99.90, 90.00

Refinement procedure

Resolution	24.210 - 1.900
R-factor	0.1809
Rwork	0.179
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 1QHU 1rtg 2mqs 3c7x 4rt6
RMSD bond length	0.005
RMSD bond angle	0.832
Data reduction software	MOSFLM (7.2.2)
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (1.14rc2-3191)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.960	26.960	1.940
High resolution limit [Å]	1.900	8.910	1.900
Rmerge	0.067	0.039	0.389
Rmeas	0.088	0.051	0.506
Rpim	0.055	0.032	0.322
Number of reflections	29017	279	1915
<I/σ(I)>	7.2	12.8	2
Completeness [%]	98.1	91.2	96.1
Redundancy	2.3	2.2	2.3
CC(1/2)	0.988	0.993	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1 uL protein solution + 1 uL precipitate solution [0.09 M imidazole/MES, pH 6.5, 27 mM sodium nitrate, 27 mM sodium phosphate dibasic, 27 mM ammonium sulfate, 11.25% v/v MPD, 11.25% w/v PEG1000, 11.25% w/v PEG3350, 3% w/v D-(+)-trehalose]