4N5H

Crystal structure of ESTERASE B from Lactobacillus Rhamnosis (HN001)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2004-02-02
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	I 4
Unit cell lengths	109.502, 109.502, 59.433
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.760 - 1.710
R-factor	0.1403
Rwork	0.139
R-free	0.17414
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Partial structure derived from a lower resolution Se-Met data set
RMSD bond length	0.022
RMSD bond angle	2.011
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.100	1.810
High resolution limit [Å]	1.710	1.710
Rmerge	0.040	0.182
Number of reflections	38046
<I/σ(I)>	17.4	5.7
Completeness [%]	99.1	97.5
Redundancy	3.93	3.83

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	294	100mM Sodium Acetate, 200mM CaCl2, 20% Isopropyl Alcohol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K