1ZZ7

Crystal Structure of FeII HppE in Complex with Substrate form 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 8-BM
Synchrotron site	APS
Beamline	8-BM
Temperature [K]	100
Spacegroup name	P 65 2 2
Unit cell lengths	86.560, 86.560, 220.360
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.030 - 2.100
R-factor	0.244
Rwork	0.244
R-free	0.26600
Structure solution method	RIGID BODY REFINEMENT
Starting model (for MR)	1zzc
RMSD bond length	0.009
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	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	28639
<I/σ(I)>	19.1	3.2
Completeness [%]	97.4	93.1
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		2.0M Ammonium Sulfate, 0.1M Tris-HCL, pH 8.5