1JKM

BREFELDIN A ESTERASE, A BACTERIAL HOMOLOGUE OF HUMAN HORMONE SENSITIVE LIPASE

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	295
Detector technology	AREA DETECTOR
Detector	SIEMENS
Spacegroup name	C 1 2 1
Unit cell lengths	140.700, 82.600, 81.500
Unit cell angles	90.00, 112.50, 90.00

Refinement procedure

Resolution	8.000 - 1.850
R-factor	0.169 *
Rwork	0.169
R-free	0.20600
Structure solution method	MIR
RMSD bond length	0.013
RMSD bond angle	1.400 *
Data reduction software	XENGEN
Data scaling software	SCALEPACK
Phasing software	SHELX-90
Refinement software	SHELX-90

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.850	1.850 *
Rmerge	0.108 *	0.497 *
Total number of observations	206345 *
Number of reflections	62664
<I/σ(I)>	9.4
Completeness [%]	85.8 *
Redundancy	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6 *		drop contained equal volume of protein and reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	1.0 (mg/ml)
2	1	reservoir	ammonium sulfate	40 (%sat)
3	1	reservoir	ammonium acetate	100 (mM)
4	1	reservoir	potassium phosphate	5.0 (mM)
5	1	reservoir	PEG4000	0.5 (%(w/v))