4ARS

Hafnia Alvei phytase apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	120
Spacegroup name	C 2 2 21
Unit cell lengths	100.590, 101.310, 85.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.550 - 1.900
R-factor	0.17672
Rwork	0.174
R-free	0.23332
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dkl
RMSD bond length	0.018
RMSD bond angle	1.787
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0025)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.700	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.070	0.550
Number of reflections	34671
<I/σ(I)>	13.1	2.5
Completeness [%]	95.6	93.2
Redundancy	5.4	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				8MG/ML PROTEIN; 0.1 M HEPES PH 7.5, 10% ISOPROPANOL, 20% PEG 4000