1ZZ8

Crystal Structure of FeII HppE in Complex with Substrate Form 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Spacegroup name	P 42 21 2
Unit cell lengths	111.649, 111.649, 152.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.225
Rwork	0.225
R-free	0.25200
Structure solution method	RIGID BODY REFINEMENT
Starting model (for MR)	1zz9
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	42988
<I/σ(I)>	20.8	6.8
Completeness [%]	99.2	99.3
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		pH 8.5