1USW

Crystal Structure of Ferulic Acid Esterase from Aspergillus niger

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2001-12-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	39.200, 47.180, 62.400
Unit cell angles	90.00, 96.14, 90.00

Refinement procedure

Resolution	14.970 - 2.500
R-factor	0.212
Rwork	0.212
R-free	0.29400
Structure solution method	MAD
Starting model (for MR)	1tib 3tgl 4tgl
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.112	0.213
Number of reflections	6360
<I/σ(I)>	5.6	3.7
Completeness [%]	85.6	85.6
Redundancy	3	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		pH 7.50