3DBK

Pseudomonas aeruginosa elastase with phosphoramidon

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.980
Spacegroup name	P 21 21 21
Unit cell lengths	44.000, 50.750, 121.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.170 - 1.400
R-factor	0.183
Rwork	0.183
R-free	0.20300
Starting model (for MR)	1u4g
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.430
High resolution limit [Å]	1.400	1.400
Number of reflections	50494
<I/σ(I)>	7.6	4.7
Completeness [%]	92.7	92.9
Redundancy	3.1	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	crystallized from 1.2-1.7 M ammonium sulfate, 0.1 M MOPS buffer, 1 micromolar Ca2+, 1 micromolar phosphoramidon, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K