2QXT

Crystal Structure Analysis of the Bacillus subtilis lipase crystallized at pH 4.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-09-10
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	74.936, 74.936, 112.016
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.940 - 2.000
R-factor	0.208
Rwork	0.208
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i6w
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	21687
<I/σ(I)>	11.1	2.3
Completeness [%]	97.7	95.4
Redundancy	4.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.5	298	26% PEG 4000, 50mM Sodium Citrate pH 4.5, 50mM Ammonium Sulfate, VAPOR DIFFUSION, temperature 298K