1PCJ

Enzyme-ligand complex of P. aeruginosa PMM/PGM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-07-28
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	70.896, 74.307, 85.476
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.900 - 2.000
R-factor	0.16531
Rwork	0.163
R-free	0.20000 *
Structure solution method	rigid body refinement followed by regular refinement
Starting model (for MR)	1p5g
RMSD bond length	0.010 *
RMSD bond angle	1.230 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.045	0.255
Number of reflections	30357
<I/σ(I)>	29.2	5.9
Completeness [%]	97.1	96.4
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	293	Regni, C.A., (2000) Acta Crystallogr, D56, 761. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12-15 (mg/ml)
2	1	drop	MOPS	10 (mM)	pH7.0
3	1	reservoir	sodium potassium tartrate	1.4 (M)
4	1	reservoir	sodium HEPES	100 (mM)	pH7.5